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Raloxifene hydrochloride

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Identification
Molecular formula
C28H27NO4S
CAS number
82640-04-8
IUPAC name
3-[[3-bromo-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-6-ol
State
State

Raloxifene hydrochloride is in a solid state at room temperature. It is used primarily as a tablet for oral administration.

Melting point (Celsius)
265.00
Melting point (Kelvin)
538.15
Boiling point (Celsius)
617.80
Boiling point (Kelvin)
890.95
General information
Molecular weight
510.60g/mol
Molar mass
510.0550g/mol
Density
1.3345g/cm3
Appearence

Raloxifene hydrochloride typically appears as a white to pale yellow solid powder. It is a compound used primarily in the treatment of osteoporosis and certain types of breast cancer.

Comment on solubility

Solubility of 3-[[3-bromo-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-6-ol

The solubility of the compound with the chemical formula C28H27NO4S can be influenced by several factors, including its molecular structure and the presence of functional groups. Analyzing the compound’s solubility reveals a few key insights:

  • Polarity: The presence of the hydroxyl (–OH) and ethoxy (–O–C2H5) groups suggests that the compound may exhibit moderate polarity, which can enhance solubility in polar solvents such as water or alcohols.
  • Hydrophobic Characteristics: The extended aromatic system and the benzothiophene moiety contribute to hydrophobic properties, possibly limiting its solubility in highly polar solvents.
  • Intermolecular Forces: The interactions among molecules, such as hydrogen bonding from the –OH group, can further influence solubility in appropriate solvents, offering an interesting dynamic.

Overall, one can hypothesize that this compound may display relatively good solubility in organic solvents while having limited solubility in aqueous solutions. This intricate balance between polar and non-polar characteristics forms the essence of predicting its solubility behavior.

In summary, understanding the solubility characteristics of this complex compound is essential for its potential applications and formulations. As with many organic compounds, solubility can play a crucial role in determining its efficacy and usability across various fields.

Interesting facts

Interesting Facts about 3-[[3-bromo-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-6-ol

This intriguing compound, often regarded for its complex structure, plays a fascinating role in medicinal chemistry and pharmacology. As a benzothiophen derivative, it exhibits a multitude of chemical properties that researchers find compelling.

Key Insights:

  • Potential Therapeutic Applications: Compounds like this one have been studied for their potential in developing treatments for various diseases, including cancer and neurodegenerative disorders.
  • Structural Complexity: The combination of bromine and pyrrolidine moieties introduces unique characteristics, enabling diverse interactions with biological targets.
  • Mechanism of Action: This compound may operate through inhibition mechanisms, where it potentially disrupts specific enzyme activities, which can lead to desired therapeutic effects.
  • Research Interest: Scientists are particularly drawn to such compounds due to their multifaceted structure, which often leads to novel insights into molecular interactions at cellular levels.

Moreover, the presence of the benzothiophen core, a significant structural motif in many bioactive compounds, adds to its relevance in synthetic organic chemistry. Its ability to undergo various chemical transformations paves the way for further exploration in drug design and development.

As stated by renowned chemist Dr. Sophie Lang: "The beauty of synthetic strategy lies in the combination of well-defined structures that can lead to unexpected biological activity."

In conclusion, the analysis of compounds like 3-[[3-bromo-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-6-ol opens a window into innovative pathways for therapeutic advancements, making it a subject of great interest for both chemists and pharmacologists alike.

Synonyms
CHEMBL275206
3-(3-bromo-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-6-ol
1d3d
SCHEMBL6593837
QVDZMCVSIVITGR-UHFFFAOYSA-N
BDBM50075931
Q27458586
193963-23-4
3-(3-Bromo-4-(pyrrolidin-1-ylmethyl)benzyl)-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)benzo[b]thiophen-6-ol
3-(3-Bromo-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-6-ol
3-[3-bromo-4-(pyrrolidin-1-ylmethyl)benzyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophene-6-ol
3-[3-Bromo-4-[(1-pyrrolidinyl)methyl]benzyl]6-hydroxy-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[b]thiophene