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Abiraterone

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Identification
Molecular formula
C24H31N5O
CAS number
154229-19-3
IUPAC name
17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13-dimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
State
State

At room temperature, Abiraterone is in a solid state, appearing as a crystalline powder.

Melting point (Celsius)
223.00
Melting point (Kelvin)
496.15
Boiling point (Celsius)
320.00
Boiling point (Kelvin)
593.15
General information
Molecular weight
391.55g/mol
Molar mass
391.5510g/mol
Density
1.2400g/cm3
Appearence

Abiraterone appears as a white to off-white crystalline powder. It is practically insoluble in water, sparingly soluble in ethanol, and freely soluble in methanol.

Comment on solubility

Solubility of 17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13-dimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

The solubility characteristics of the compound with the chemical formula C24H31N5O reveal important insights into its behavior in various solvents. This compound, which contains multiple functional groups, exhibits specific solubility profiles that are influenced by its molecular structure.

Typically, the solubility of such a complex organic molecule can be affected by several factors:

  • Polarity: The presence of nitrogen atoms and functional groups may enhance solubility in polar solvents such as water.
  • Hydrophobicity: The hydrocarbon framework contributes to hydrophobic interactions, which may limit solubility in aqueous environments.
  • Competing interactions: Solvents with hydrogen-bonding capabilities can solvate the amine and carbonyl groups, affecting overall solubility.

In general, one might state that:

  • This compound is likely to be more soluble in organic solvents such as methanol or dimethyl sulfoxide (DMSO),
  • while exhibiting lower solubility in water due to its hydrophobic regions.

Understanding the solubility of this compound is crucial for its applications in various fields, including pharmaceuticals, where solubility can dictate bioavailability and therapeutic efficacy. Testing its solubility across a range of solvents is advisable to establish a comprehensive profile.

Interesting facts

Exploring the Complex Nature of a Unique Compound

This compound, known for its intricate structure, provides a fascinating glimpse into the world of organic synthesis and medicinal chemistry. As a researcher or student of chemistry, you'll find several compelling aspects associated with this particular molecule:

  • Biological Relevance: The presence of a piperazine ring and a pyrimidine moiety suggests potential biological activity, particularly in the realm of pharmaceutical applications. Compounds with similar structures have been explored as therapeutics for conditions such as depression and anxiety.
  • Structural Diversity: The compound features an octahydrocyclopenta[a]phenanthrene framework, showcasing a rich tapestry of fused rings. This complexity not only enhances biological interactions but also offers numerous sites for potential modifications to improve efficacy or reduce side effects.
  • Innovation in Drug Design: The strategic incorporation of multiple nitrogen-containing groups hints at its role as a modulator for various receptors in the body, a common strategy in drug development that can lead to more targeted therapies.
  • Challenges in Synthesis: Due to its multi-layered structure, synthesizing this compound could be a formidable task. It typically requires advanced techniques in organic synthesis and an intimate understanding of reaction mechanisms, making it a valuable study subject for aspiring chemists.

In studying this compound, one can appreciate the elegance with which nature's chemistry operates. As one renowned chemist once said, "Chemistry is the art of transformation, crafting new materials from basic elements." Thus, this compound not only exemplifies the art of synthesis but also the potential to impact human health through innovative design.

In conclusion, delving into the complexities of this compound provides valuable insights into both traditional and contemporary strategies in chemistry, making it a captivating subject for ongoing research and study.

Synonyms
Spectrum_001995
SpecPlus_000473
KBioSS_002566
DivK1c_006569
SCHEMBL25994360
KBio1_001513
KBio2_002557
KBio2_005125
KBio2_007693