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Bromofluoroacetylsteroid

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Identification
Molecular formula
C21H25BrFO
CAS number
NA
IUPAC name
(6S,17R)-17-acetyl-17-bromo-6-fluoro-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
State
State
At room temperature, Bromofluoroacetylsteroid is generally found in a solid state, owing to its complex steroidal skeleton, which imparts stability and rigidity to the compound structure.
Melting point (Celsius)
210.00
Melting point (Kelvin)
483.15
Boiling point (Celsius)
432.00
Boiling point (Kelvin)
705.15
General information
Molecular weight
461.32g/mol
Molar mass
461.3190g/mol
Density
1.3190g/cm3
Appearence
Bromofluoroacetylsteroid is typically found as a crystalline solid. It may have a white to off-white color depending on its purity and formulation. The compound has a characteristic structure that includes a cyclopenta[a]phenanthrene ring which significantly influences its crystalline nature.
Comment on solubility

Solubility of (6S,17R)-17-acetyl-17-bromo-6-fluoro-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

The solubility of (6S,17R)-17-acetyl-17-bromo-6-fluoro-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one can be quite complex due to its intricate molecular structure and the presence of multiple functional groups. Understanding its solubility is essential for predicting its behavior in various environments. Here are some key points to consider:

  • Polar vs. Non-Polar Nature: The presence of both polar functional groups (like the acetyl and bromo groups) and non-polar hydrocarbon chains in the structure suggests a dual solubility behavior.
  • Aqueous Solubility: It is likely to exhibit limited solubility in water due to the predominance of non-polar characteristics in the overall molecule.
  • Organic Solvents: The compound may be more soluble in organic solvents like ethanol, acetone, or chloroform, where the non-polar and weakly polar groups can effectively interact with solvent molecules.
  • Temperature Dependence: Solubility may also vary significantly with temperature; increases in temperature can enhance solubility in organic solvents.
  • pH Sensitivity: The solubility can be affected by the pH of the solution, especially if the compound can undergo ionization.

In summary, while the specific solubility values for this compound may not be readily available, we can infer that it is likely to be sparingly soluble in water and more soluble in organic solvents under varying temperature and pH conditions. Understanding these aspects can aid in applications involving this compound.

Interesting facts

Interesting Facts About (6S,17R)-17-acetyl-17-bromo-6-fluoro-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

This compound, known for its complex structure and functionality, showcases the fascinating world of organic chemistry. Below are some intriguing points about this compound:

  • Structural Diversity: The presence of multiple functional groups such as acetyl, bromo, and fluoro dramatically enhances the versatility of this compound. Its structural framework features a cyclopenta[a]phenanthrene core, which is characteristic of various biologically active natural products.
  • Biological Activity: Compounds with similar structures have garnered interest in medicinal chemistry, often exhibiting significant pharmacological properties. Research indicates potential anti-cancer and anti-inflammatory activities among analogs of this compound.
  • Stereochemistry: The designation of specific stereochemical configurations (6S and 17R) demonstrates the importance of chirality in chemical reactivity and biological interactions. The spatial arrangement of atoms influences how the compound interacts with biological targets.
  • Fluorinated Compounds: The inclusion of a fluorine atom in the compound can enhance metabolic stability and bioavailability. Fluorine substitution is a common strategy to optimize drug properties in pharmaceutical development.
  • Applications in Research: This compound serves as a congener for various synthesis pathways in chemical research and the development of new materials, allowing the exploration of its derivatives for diverse applications.

In conclusion, the compound (6S,17R)-17-acetyl-17-bromo-6-fluoro-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one not only embodies intricate chemical design but also highlights the importance of molecular diversity in drug design and organic synthesis. As scientists unravel the potentials locked within its structure, it stands as a testament to the ingenuity found within chemical compounds.

Synonyms
NS00121550