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Bufexamac

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Identification
Molecular formula
C20H26O4
CAS number
2423-74-5
IUPAC name
[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 2-(diethylamino)acetate
State
State

At room temperature, Bufexamac is in a solid state. It is usually marketed and handled as a creamy or ointment formulation for topical application.

Melting point (Celsius)
187.00
Melting point (Kelvin)
460.15
Boiling point (Celsius)
496.00
Boiling point (Kelvin)
769.15
General information
Molecular weight
326.42g/mol
Molar mass
327.4260g/mol
Density
1.1400g/cm3
Appearence

Bufexamac is typically a white crystalline solid. Its appearance can also range to slightly off-white depending on the degree of purity. As a fine powder, it remains stable under ordinary conditions.

Comment on solubility

Solubility of [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 2-(diethylamino)acetate

The solubility of a compound is a critical factor influencing its applications in various fields, including pharmaceuticals and material science. For the compound 2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl 2-(diethylamino)acetate, several aspects need to be considered:

  • Polarity: The existence of multiple hydroxyl (-OH) and amino (-NH) groups suggests a potential for **hydrogen bonding**, which generally increases solubility in polar solvents, especially water.
  • Size and Structure: The large, complex structure may hinder solubility in aqueous environments while promoting solubility in organic solvents due to its hydrophobic regions.
  • Functional Groups: The presence of diethylamino groups may enhance solubility in organic solvents like **ethanol** and **methanol** while possibly displaying a balance of hydrophilic-hydrophobic character.

As a result, it is likely that this compound exhibits variable solubility:

  • High solubility in polar organic solvents
  • Moderate to low solubility in water

In summary, the solubility of this complex compound is influenced by its unique structural features and functional groups. As always, conducting empirical testing remains essential for accurately determining its solubility characteristics. Exploring these solubility profiles can reveal valuable information about the compound's behavior in various environments, thereby guiding its practical applications.

Interesting facts

Interesting Facts about 2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 2-(diethylamino)acetate

This compound, an intriguing synthesis in the realm of organic chemistry, combines complex functionalities with bioactivity potential. Its structure features characteristics typical of steroid-like compounds, indicating possible hormonal similarities. Here are some enlightening points about this fascinating molecule:

  • Unique Structural Features: The presence of hydroxy and keto groups suggests a rich potential for hydrogen bonding, which could lead to unique interactions in biological systems.
  • Biological Relevance: Compounds with similar steroid-like structures have found applications in medicine, particularly in the development of anti-inflammatory and therapeutic agents.
  • Diethylamino Group: The incorporation of a diethylamino group may enhance the solubility and permeability of this compound, making it a candidate for pharmacological applications.
  • Complex Ring System: The cyclopenta[a]phenanthrene core is a unique feature that could contribute to the specific biological activities, hinting at potential avenues for drug design.
  • Potential Research Applications: Given its structural complexity, this compound could serve as a valuable target for synthetic chemists and pharmacologists, fueling further research into its biological effects.

In summary, this compound’s intricate makeup not only presents numerous avenues for scientific exploration but also reflects the beautiful complexity found within the realm of organic chemistry. The interplay of structural elements could offer insights into the development of novel therapeutics, making it a rich focus for upcoming research!

Synonyms
SCHEMBL1652408
DTXSID10863582
11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl N,N-diethylglycinate