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Rilpivirine

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Identification
Molecular formula
C20H21N5O2
CAS number
500287-72-9
IUPAC name
3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-one
State
State

Rilpivirine is typically in a solid state at room temperature.

Melting point (Celsius)
233.00
Melting point (Kelvin)
506.15
Boiling point (Celsius)
483.00
Boiling point (Kelvin)
756.15
General information
Molecular weight
366.47g/mol
Molar mass
366.4720g/mol
Density
1.2323g/cm3
Appearence

Rilpivirine is a white to off-white powder.

Comment on solubility

Solubility of 3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-one

The solubility of 3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-one can be characterized as follows:

  • Polar vs. Nonpolar: This compound exhibits moderate polarity due to the presence of the benzoxazole moiety along with the amine group from the piperazine ring. Thus, its solubility in polar solvents like water and methanol is relatively favorable when compared to completely nonpolar compounds.
  • Solvents: It tends to dissolve well in solvents such as:
    • Dimethyl sulfoxide (DMSO)
    • Methanol
    • Acetonitrile
  • Hydrocarbon solvents: Conversely, the solubility in nonpolar solvents like hexane is very low. This indicates a clear preference for polar solvent environments.

As a general observation, the solubility behavior is critical for understanding the compound's biological interactions and potential applications. As the saying goes, "like dissolves like." Consequently, its application in drug formulation may favor polar and semi-polar solvents, enhancing bioavailability in physiological conditions.

In conclusion, understanding the solubility of 3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-one is essential in predicting its behavior in various environmental and biological settings.

Interesting facts

Interesting Facts about 3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-one

3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-one is a fascinating compound that has garnered attention in both the pharmacological and synthetic chemistry realms. Below are some intriguing aspects of this compound:

  • Pharmacological Potential: This compound belongs to a class of molecules that have been studied for their possible therapeutic effects, particularly in the fields of neuroscience and psychiatry. Its structural features suggest it may interact with various neurotransmitter systems.
  • Structure-Activity Relationship: Understanding how slight modifications in the chemical structure can impact biological activity is crucial. The presence of a 4-methylpiperazine moiety can enhance the binding affinity for target receptors, illustrating the significance of molecule design in drug development.
  • Versatile Synthetic Routes: The synthesis of this compound can be approached through various methodologies, showcasing the flexibility chemists have in creating complex organic molecules. This flexibility is essential in optimizing yields and purities in research settings.
  • Interdisciplinary Applications: Research on this compound bridges multiple disciplines, including medicinal chemistry, organic synthesis, and even computational modeling, as scientists use various techniques to predict the behavior of such molecules in biological systems.
  • Emergence of New Compounds: Investigating this compound can lead to a better understanding of similar benzoxazole derivatives, potentially guiding the synthesis of new materials with improved properties for various applications.

As with many compounds in medicinal chemistry, the journey from synthesis to practical application is filled with challenges and discoveries. Understanding the nuances of 3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-one opens avenues not just for therapeutic innovations but also for deeper insights into molecular interactions and functionalities.