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Difluprednate

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Identification
Molecular formula
C27H34F2O7S
CAS number
23674-86-4
IUPAC name
[6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
State
State

At room temperature, difluprednate is typically a solid form, usually as a crystalline powder.

Melting point (Celsius)
217.50
Melting point (Kelvin)
490.65
Boiling point (Celsius)
523.00
Boiling point (Kelvin)
796.15
General information
Molecular weight
502.52g/mol
Molar mass
502.5160g/mol
Density
1.3000g/cm3
Appearence

Difluprednate is a white to off-white crystalline powder. Its appearance can vary slightly depending on the presence of moisture and the degree of crystallinity.

Comment on solubility

Solubility of [6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate

The solubility of the compound with the formula C27H34F2O7S can be quite complex due to its intricate structure and the presence of multiple functional groups. Here are some key points regarding its solubility characteristics:

  • Polarity: The molecule contains fluorine atoms and hydroxyl (–OH) groups, suggesting the potential for polar interactions. This could enhance *water solubility* to an extent.
  • Hydrophobic Regions: The large hydrocarbon moieties and the cyclopenta[a]phenanthren structure introduce significant hydrophobic areas. These hydrophobic regions may lead to limited solubility in polar solvents, such as *water*.
  • Sulfur Presence: The sulfur atom in the *fluoromethylsulfanylcarbonyl* group may affect the *compound's interaction* with solvents, possibly contributing to solubility in organic solvents like *DMSO* or *ethanol*.
  • Temperature Dependency: Solubility can also be temperature-dependent, which is common for many organic compounds. An increase in temperature may enhance solubility in certain solvents.

In conclusion, the compound's solubility is likely to be limited in *aqueous* environments while potentially soluble in *organic solvents*. As always, empirical testing is necessary to determine precise solubility profiles in various solvents.

Interesting facts

Interesting Facts about [6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate

This compound presents a compelling blend of structure and functionality that makes it a fascinating subject for study in organic chemistry. It belongs to a class of compounds known for their therapeutic potential and intriguing mechanistic pathways. Here are some key highlights:

  • Fluorinated Compounds: The presence of fluorine atoms introduces unique electronic properties, leading to enhanced bioactivity and stability in various chemical environments.
  • Sulfanyl Group: The fluoromethylsulfanylcarbonyl moiety adds a layer of complexity to this compound's reactivity and can influence its interactions with biological targets.
  • Hydroxyl Group: The hydroxyl functional group plays a crucial role in solubility and can enhance the compound’s ability to form hydrogen bonds, which is vital for its pharmacological activity.
  • Multi-functional Character: The arrangement of multiple functional groups suggests potential use in drug design, as it may interact with various biological pathways, making it a candidate for further research.

As chemists often say, "Understanding the nuances of molecular geometry can unlock doors to innovative therapeutic solutions." The complexity of this compound certainly showcases the beauty of molecular design. Such compounds invite exploration into their synthesis, potential biological evaluations, and profound implications in medicinal chemistry.

Overall, the intricate structure of [6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate indicates a promising subject for future studies, especially in the realm of pharmaceutical applications.

Synonyms
80474-14-2
6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl propanoate
Flonase;Veramyst
SCHEMBL13026160
DTXSID90861026
WMWTYOKRWGGJOA-UHFFFAOYSA-N
BCP02204
STL454191
AKOS037482521
ICX5609031
LS-15119
SY028612
5,9b-difluoro-1-{[(fluoromethyl)sulfanyl]carbonyl}-10-hydroxy-2,9a,11a-trimethyl-7-oxo-2H,3H,3aH,3bH,4H,5H,10H,11H-cyclopenta[a]phenanthren-1-yl propanoate
Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-,(6.alpha.,11.beta.,16.alpha.,17.alpha.)-S-(fluoromethyl) ester
S-(Fluoromethyl) 6.alpha.,9-difluoro-11.beta.,17-dihydroxy-16.alpha.-methyl-3-oxoandrosta-1,4-diene-17.beta.-carbothioate, 17-propionate