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Doravirine

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Identification
Molecular formula
C17H11F2N5O
CAS number
1338225-97-0
IUPAC name
N-[1-benzyl-3,3-difluoro-2,2-dihydroxy-4-[[3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanoyl]amino]-5-phenyl-pentyl]-3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanamide
State
State

Doravirine exists as a solid under standard laboratory conditions, which includes room temperature. Its solid state contributes to its typical formulation as tablets for oral administration in medical applications.

Melting point (Celsius)
204.00
Melting point (Kelvin)
477.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
493.49g/mol
Molar mass
493.4930g/mol
Density
1.4000g/cm3
Appearence

Doravirine appears as a solid, crystalline substance. It is odorless and usually comes in a white to off-white color. The crystalline nature contributes to its overall stability and makes it suitable for pharmacological use.

Comment on solubility

Solubility of N-[1-benzyl-3,3-difluoro-2,2-dihydroxy-4-[[3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanoyl]amino]-5-phenyl-pentyl]-3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanamide (C17H11F2N5O)

The solubility of complex organic compounds such as N-[1-benzyl-3,3-difluoro-2,2-dihydroxy-4-[[3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanoyl]amino]-5-phenyl-pentyl]-3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanamide can vary significantly based on several factors:

  • Molecular Structure: The presence of functional groups such as hydroxyl and amide can enhance solubility in polar solvents due to the ability to form hydrogen bonds.
  • Polarity: Given its complex structure, the overall polarity influences solubility in various solvents. As a general rule, polar compounds are soluble in polar solvents, while nonpolar compounds dissolve best in nonpolar solvents.
  • Temperature: Increasing the temperature usually increases the solubility of solid compounds in liquids. However, the effects can vary.
  • pH of Solution: If the compound contains acidic or basic functional groups, the solubility in water can be greatly affected by the pH level of the solution.
  • Interactions with Solvents: The ability to interact favorably with the solvent (such as through dipole-dipole interactions, ion-dipole interactions, or van der Waals forces) is crucial for solubility.

In summary, while predicting the precise solubility of such a complex compound may require empirical testing, understanding these factors can provide valuable insights into its potential behavior in various solvent systems. Always consider that "like dissolves like" when theorizing about solubility in different mediums.

Interesting facts

Interesting Facts about N-[1-benzyl-3,3-difluoro-2,2-dihydroxy-4-[[3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanoyl]amino]-5-phenyl-pentyl]-3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanamide

This intriguing compound, known for its complex structure, is a part of a class of molecules that blends fluorinated components with amino acids and other functional groups. Here are some compelling aspects of this compound:

  • Functional Diversity: The presence of multiple functional groups, such as fluorine and hydroxyl groups, adds remarkable properties that significantly enhance biological interactions.
  • Potential Applications: Due to its unique configuration, this compound may have potential therapeutic applications, particularly in drug design. Researchers often examine similar structures for anti-cancer or anti-inflammatory properties.
  • Fluorine Impact: The introduction of fluorine atoms generally increases metabolic stability in compounds, making them more durable in biological systems. This characteristic is often exploited in pharmaceutical compounds to improve efficacy.
  • Synthetic Interest: The intricate assembly of the molecule indicates advanced synthetic techniques that chemists employ, often involving multiple reaction steps to achieve such complex architectures.
  • Research Focus: Compounds such as this are frequently subjects of research in medicinal chemistry, where their interactions and effects can be studied to discover new medicinal agents.

As science continues to evolve, understanding and exploring compounds like N-[1-benzyl-3,3-difluoro-2,2-dihydroxy-4-[[3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanoyl]amino]-5-phenyl-pentyl]-3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanamide remains crucial in the quest for innovative solutions in chemistry and medicine.