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Abiraterone acetate

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Identification
Molecular formula
C26H33NO2
CAS number
154229-18-2
IUPAC name
[5-[(3S,10R,16R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate
State
State

Abiraterone acetate is typically in a solid state at room temperature, manifesting as a crystalline powder.

Melting point (Celsius)
141.50
Melting point (Kelvin)
414.65
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
391.55g/mol
Molar mass
391.5480g/mol
Density
1.2250g/cm3
Appearence

Abiraterone acetate appears as a white to off-white, crystalline powder. It is nearly insoluble in water, sparingly soluble in alcohol, and soluble in methylene chloride.

Comment on solubility

Solubility of 5-[(3S,10R,16R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate

The solubility of 5-[(3S,10R,16R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate can be quite intriguing due to its complex structure. Understanding its solubility properties may help in various applications including pharmaceuticals and chemical synthesis. Below are some key points regarding its solubility:

  • Polar vs Non-Polar Solubility: Given its multiple hydroxyl (-OH) groups, the compound likely exhibits better solubility in polar solvents such as water and alcohols.
  • Hydrophobic Interactions: The presence of large hydrocarbon structures may result in hydrophobic interactions, potentially limiting its solubility in purely aqueous mediums.
  • pH Dependence: The solubility might also change with pH. Acidic or basic conditions could alter the protonation states of the hydroxyl groups, affecting solubility.
  • Temperature Effects: Generally, increasing temperature can enhance solubility; however, the specific behavior of this compound would need empirical validation.

Thus, experimentation and further analysis would be crucial to ascertain the precise solubility characteristics of this compound, as its intricate structure may impart unique properties that could challenge standard solubility predictions.

Interesting facts

Interesting Facts about the Compound

5-[(3S,10R,16R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate is a complex organic compound rich in unique structural characteristics that highlight the intricacies of organic chemistry. Here are some intriguing facts:

  • Biological Significance: This compound contains multiple hydroxyl groups, making it a polyol, which contributes to its potential biological activity, influencing various physiological processes.
  • Structural Diversity: With its intricate carbon framework and multiple stereocenters, the compound showcases the concept of stereochemistry, crucial for understanding molecular interactions and reactivity.
  • Potential Applications: Given its hydroxyl groups and ketone functionality, this compound may exhibit properties beneficial in drug design and medicinal chemistry, possibly serving as a lead compound for therapeutic agents.
  • Natural Product Derivation: Compounds of similar structures are often derived from natural sources, and studying their modifications can lead to the discovery of novel substances with improved efficacy.
  • Historical Context: The study of such organic compounds has roots dating back to early chemists who explored the relationships between structure and function, paving the way for modern organic synthesis.

As a chemistry student or scientist examining this compound, one can appreciate the beauty of chemical synthesis and the role of intricate molecular architecture in determining chemical behavior and functionality. Understanding compounds like this one opens avenues for innovative research and potential biotechnological advancements.