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Onapristone

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Identification
Molecular formula
C29H29FN2O3
CAS number
104006-74-8
IUPAC name
1-[(16R,20S)-7-(4-fluorophenyl)-2,18,18,21-tetramethyl-17,19-dioxa-6,7-diazahexacyclo[11.10.0.02,10.04,8.014,21.016,20]tricosa-4(8),5,9-trien-20-yl]-2-hydroxy-ethanone
State
State

At room temperature, Onapristone is found as a solid.

Melting point (Celsius)
185.00
Melting point (Kelvin)
458.15
Boiling point (Celsius)
831.15
Boiling point (Kelvin)
1 104.30
General information
Molecular weight
395.46g/mol
Molar mass
395.4940g/mol
Density
1.3180g/cm3
Appearence

Onapristone is an off-white to pale yellow crystalline powder.

Comment on solubility

Solubility of 1-[(16R,20S)-7-(4-fluorophenyl)-2,18,18,21-tetramethyl-17,19-dioxa-6,7-diazahexacyclo[11.10.0.02,10.04,8.014,21.016,20]tricosa-4(8),5,9-trien-20-yl]-2-hydroxy-ethanone

The solubility of the compound 1-[(16R,20S)-7-(4-fluorophenyl)-2,18,18,21-tetramethyl-17,19-dioxa-6,7-diazahexacyclo[11.10.0.02,10.04,8.014,21.016,20]tricosa-4(8),5,9-trien-20-yl]-2-hydroxy-ethanone is significantly influenced by its complex molecular structure and the presence of functional groups.

Key factors affecting its solubility include:

  • Polarity: The presence of hydroxyl (-OH) groups tends to increase solubility in polar solvents, such as water.
  • Hydrophobic regions: The large, hydrophobic rings may limit solubility in non-polar solvents.
  • Fluorine substitution: The 4-fluorophenyl group may interact differently with solvents, potentially enhancing solubility in certain organic solvents.

In general, one might expect this compound to exhibit:

  • Higher solubility in organic solvents due to its bulky hydrophobic portions.
  • Moderate solubility in water due to the balancing effect of the hydroxyl group.

In conclusion, while precise solubility values may vary, understanding the molecular interaction with solvents will guide the predictions on solubility. Ultimately, it's crucial to consider both polar and non-polar characteristics of the compound for practical applications.

Interesting facts

Interesting Facts about 1-[(16R,20S)-7-(4-fluorophenyl)-2,18,18,21-tetramethyl-17,19-dioxa-6,7-diazahexacyclo[11.10.0.02,10.04,8.014,21.016,20]tricosa-4(8),5,9-trien-20-yl]-2-hydroxy-ethanone

This compound is a fascinating example of complex organic synthesis and showcases the intricate nature of chemical design in modern medicinal chemistry. Below are some fascinating insights into this compound:

  • Structural Complexity: The compound features an impressive hexacyclic structure, which is characterized by numerous rings and functional groups, exemplifying the creativity and precision involved in synthetic organic chemistry.
  • Fluorine Substitution: The presence of the 4-fluorophenyl group is noteworthy since fluorine can significantly alter the biological activity and pharmacokinetics of a compound, often enhancing lipophilicity and stability.
  • Potential Applications: Compounds with such intricate structures are often explored for their potential therapeutic roles, particularly in treating complex diseases or conditions. The specific stereochemistry of this molecule may even confer unique biological activities.
  • Chirality: With multiple chiral centers, the compound emphasizes the importance of stereochemistry in drug development. Chirality can influence how a compound interacts with specific biological targets, making it crucial for efficacy and safety in pharmaceuticals.
  • Research Insights: The remarkable structure of this compound could inspire further research into similar molecular architectures, encouraging the exploration of related compounds and their respective biological activities.

Exploring such complex compounds can often lead to groundbreaking discoveries in drug design and therapeutic interventions, opening new avenues in the field of medicinal chemistry.