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Etravirine

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Identification
Molecular formula
C20H15BrCl2N4
CAS number
269055-15-4
IUPAC name
4-cyano-N-[3-[cyclopropyl-(2-hydroxy-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide
State
State

At room temperature, Etravirine is in a solid state.

Melting point (Celsius)
250.00
Melting point (Kelvin)
523.00
Boiling point (Celsius)
700.00
Boiling point (Kelvin)
973.00
General information
Molecular weight
435.52g/mol
Molar mass
435.5160g/mol
Density
1.5800g/cm3
Appearence

Etravirine appears as a white to off-white solid substance.

Comment on solubility

Solubility of 4-cyano-N-[3-[cyclopropyl-(2-hydroxy-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide

The solubility of 4-cyano-N-[3-[cyclopropyl-(2-hydroxy-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide, with the formula C20H15BrCl2N4, can be somewhat complex due to its intricate structure. Understanding the solubility characteristics of such a compound is critical for its application and effectiveness.

Factors Influencing Solubility

Several key factors influence the solubility profile of this compound:

  • Polarity: The presence of different functional groups, including sulfonamide and cyano groups, often increases polarity, which may enhance solubility in polar solvents.
  • Hydrogen Bonding: The ability to form hydrogen bonds, especially due to the hydroxy group, can significantly affect solubility in water.
  • Hydrophobic Interactions: The cyclopropyl and hexahydrocyclooctapyran moieties may contribute to hydrophobic characteristics that could limit solubility in aqueous solutions.

Typical Solubility Observations

In practical scenarios, the solubility can be summarized with the following points:

  • Typically, it may exhibit good solubility in organic solvents such as dimethyl sulfoxide (DMSO) and dimethylformamide (DMF).
  • Solubility in water may be limited due to the balanced hydrophobic and hydrophilic interactions.
  • It suggests that a careful choice of solvent systems is critical for effective use in formulations.

In conclusion, understanding the solubility of such a specialized compound is not only essential for practical applications but also provides insight into its chemical behavior and interactions within various environments.

Interesting facts

Interesting Facts about 4-cyano-N-[3-[cyclopropyl-(2-hydroxy-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide

The compound 4-cyano-N-[3-[cyclopropyl-(2-hydroxy-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide, often referred to by its shorthand name, is a fascinating example in the field of organic chemistry. Here are some key points to consider:

  • Complex Structure: This compound showcases a sophisticated molecular architecture, combining elements like a cyano group, a sulfonamide moiety, and a unique bicyclic structure derived from the cyclooctane family. Its intricate structure poses intriguing challenges and opportunities for synthesis and characterization.
  • Pharmaceutical Potential: Compounds with sulfonamide groups are noteworthy in medicinal chemistry, as they can exhibit diverse biological activities. This particular compound's structure suggests potential applications in drug development, particularly as a therapeutic agent targeting various diseases.
  • Versatile Chemistry: The presence of the hydroxy and cyano groups adds versatility to this compound, allowing for further chemical modifications. Such modifications can lead to derivatives with enhanced efficacy or altered bioactivity, making it an ideal candidate for further research.
  • Research Interest: Due to its complex functionalities, this compound has garnered attention in the research community. Scientists are keen to explore its interactions and mechanisms of action at the molecular level, contributing to understanding its pharmacodynamics and pharmacokinetics.

In summary, 4-cyano-N-[3-[cyclopropyl-(2-hydroxy-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide stands out in organic synthesis due to its unique features and potential applications. As expressed in the words of renowned chemist Linus Pauling, "The best way to have a good idea is to have lots of ideas." This compound represents a fruitful area for innovation and discovery in the continuously evolving field of chemistry.