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Raloxifene

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Identification
Molecular formula
C28H27NO4S
CAS number
84449-90-1
IUPAC name
[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone
State
State

The compound exists as a solid at room temperature, characterized by a powdery form.

Melting point (Celsius)
260.00
Melting point (Kelvin)
533.15
Boiling point (Celsius)
553.20
Boiling point (Kelvin)
826.35
General information
Molecular weight
473.58g/mol
Molar mass
473.5840g/mol
Density
1.2792g/cm3
Appearence

Raloxifene is typically an off-white to pale yellow solid powder. It is usually crystalline in nature and can be identified by its characteristic color.

Comment on solubility

Solubility of [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone

The compound [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone, with the chemical formula C28H27NO4S, possesses unique solubility characteristics due to its complex structure. Understanding its solubility is critical for applications in pharmaceuticals and materials science.

Key considerations regarding the solubility of this compound include:

  • Polar vs. Non-Polar Characteristics: The presence of both hydroxyl (-OH) groups and a thiophene ring suggests that the compound may exhibit a degree of polarity, which can influence its interaction with solvents.
  • Solvent Compatibility: It is rational to expect solubility in both polar solvents (like water or alcohol) and non-polar solvents (like chloroform or hexane), though the degree of solubility in each will vary significantly.
  • Hydrogen Bonding: The -OH functional groups may facilitate hydrogen bonding, potentially enhancing solubility in aqueous environments.
  • Structural Factors: The bulky piperidine and phenyl groups may hinder consistent solubility in less polar solvents due to steric effects and molecular interactions.

Overall, while the theoretical solubility profile of this compound can be mapped based on its functional groups and molecular structure, experimental data should be consulted for precise solubility values.

Interesting facts

Exploring [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone

This fascinating compound, known for its complex structure, showcases the intricate world of organic synthesis. Here are several interesting facts about it:

  • Structural Complexity: The compound features a unique combination of benzothiophene and piperidine derivatives, highlighting the chemical diversity achievable through modern synthetic techniques.
  • Potential Biological Activity: Compounds like this one often exhibit promising pharmacological properties that could be explored for therapeutic applications, particularly in areas such as cancer research and neuropharmacology.
  • Applications of Phenolic Compounds: The presence of hydroxyphenyl groups indicates the potential antioxidant properties of the compound. Phenolic compounds are renowned for their ability to mitigate oxidative stress in biological systems.
  • Research Interest: Scientists are particularly interested in such compounds due to their structural motifs which may contribute to the development of novel drugs. Their synthesis and modification can lead to derivatives with enhanced biological activity.
  • Chemical Synthesis: This compound exemplifies how chemists can use multi-step synthesis to construct complex molecules, which often involves strategic reactions such as coupling and functional group transformations.
  • Future Directions: Continued research could unveil further applications and derivatives of this compound, with ongoing exploration in medicinal chemistry aiming to optimize its efficacy and minimize side effects.

As we delve into the realm of chemical compounds like [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone, it’s crucial to recognize the innovative pathways that contribute to the development of new materials and pharmaceuticals. The interplay between structure and function in chemistry is an exciting field that beckons future exploration!

Synonyms
raloxifene
84449-90-1
Keoxifene
Raloxifeno
Raloxifenum
Raloxifenum [Latin]
Raloxifeno [Spanish]
Raloxiphene
Eviden
Raxeto
LY 139481
LY-139481
Pharoxifene
CCRIS 7129
HSDB 7460
UNII-YX9162EO3I
NSC-747974
2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]benzoyl}-1-benzothiophen-6-ol
CHEBI:8772
YX9162EO3I
DTXSID3023550
CHEMBL81
J22.982B
(2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone
(6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl)(4-(2-(piperidin-1-yl)ethoxy)phenyl)methanone
Keoxifene; LY 139481;
Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-
DTXCID803550
Raloxifene (INN)
Raloxifenum (Latin)
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
NSC 747974
RALOXIFENE [INN]
Raloxifene [INN:BAN]
2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1-benzothiophen-6-ol
Methanone, [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-
NCGC00015889-05
CAS-82640-04-8
Raloxifene, 6
(6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl)(4-(2-piperidin-1-ylethoxy)phenyl)methanone
[2-(4-Hydroxyphenyl)-6-hydroxybenzo[b]thien-3-yl][4-(2-(1-piperidinyl)ethoxy)phenyl]methanone
[2-(4-hydroxyphenyl)-6-hydroxybenzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[(2-piperidin-1-ylethyl)oxy]phenyl}methanone
[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone; Keoxifene; LY 139481; Raloxifene; [2-(4-Hydroxyphenyl)-6-hydroxybenzo[b]thien-3-yl][4-(2-(1-piperidinyl)ethoxy)phenyl]methanone
Eviden (TN)
MFCD00866415
Raxeto (TN)
Raloxifene (Standard)
LY139481
RALOXIFENE [MI]
(2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1- piperidinyl)ethoxy)phenyl)methanone
Prestwick0_000862
Prestwick1_000862
Prestwick2_000862
Prestwick3_000862
Lopac-R-1402
RALOXIFENE [HSDB]
RALOXIFENE [VANDF]
SCHEMBL6144
RALOXIFENE [WHO-DD]
Lopac0_001051
BSPBio_000903
KBioGR_002361
KBioSS_002364
BIDD:ER0216
BIDD:GT0795
SPBio_002824
BPBio1_000995
GTPL2820
BDBM19441
KBio2_002361
KBio2_004929
KBio2_007497
KBio3_002840
G03XC01
cid_11071264
cMAP_000032
HMS2089F06
HMS3742O11
BCP09772
Tox21_202603
HY-13738R
NSC747974
NSC761389
s5781
AKOS015896267
AC-8399
CCG-205128
DB00481
NSC-761389
SDCCGSBI-0051021.P003
[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone
MRF-0000684
SMP2_000095
NCGC00015889-01
NCGC00015889-02
NCGC00015889-04
NCGC00015889-06
NCGC00015889-07
NCGC00015889-08
NCGC00015889-10
NCGC00015889-22
NCGC00092353-02
NCGC00092353-04
NCGC00260151-01
[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone
AS-35086
FR175031
HY-13738
SBI-0051021.P002
CAS-84449-90-1
CS-0007764
NS00005279
EN300-58333
VU0155042-3
C07228
D08465
A916152
Q425223
BRD-K63828191-003-11-5
BRD-K63828191-003-32-1
BRD-K63828191-003-33-9
BRD-K63828191-003-34-7
6-hydroxy-2-(4-hydoxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene
6-hydroxy-2-(4-hydoxyphenyl)-3[-4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene
6-Hydroxy-2-(4-Hydroxyphenyl)-3-[4(2-Piperidinoethoxy)benzoyl]benzo[b]thiophene
6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]-thiophene
6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene
6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2piperidinoethoxy)-benzoyl]benzo[b]thiophene
6-hydroxy-2-(4-hydroxyphenyl)-3[-4-(2-piperidinoethoxy)benzoyl]benzo [b]thiophene
6-hydroxy-2-(4-hydroxyphenyl)-3[-4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene
6-hydroxy-2-(4-hydroxyphenyl)-3[-4-(2piperidinoethoxy)benzoyl]benzo[b]thiophene
6-hydroxy-2-(4-hyroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene
(6-Hydroxy-2-(4-hydroxyphenyl)-benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone
[2-(4-Hydroxyphenyl)-6-hydroxybenzo[b]thien-3-yl] [4-[2-(1-piperidinyl)ethoxy]phenyl]methanone; Raloxifeno
[6-Hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thiophen-3-yl]-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone
[6-hydroxy-2-(4-hydroxyphenyl)benzo-[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone
[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone
[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1piperidinyl)ethoxy]phenyl]methanone
6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl 4-[2-(1-piperidinyl)ethoxy]phenyl methanone