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CYP3A4 Inhibitor

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Identification
Molecular formula
C30H47NO6P
CAS number
34540-22-2
IUPAC name
4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxy-propoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate
State
State

At room temperature, this compound exists as a liquid. It should be stored in a tightly closed container in a cool, dry, and well-ventilated location to prevent any degradation or changes in form.

Melting point (Celsius)
25.00
Melting point (Kelvin)
298.15
Boiling point (Celsius)
320.00
Boiling point (Kelvin)
593.15
General information
Molecular weight
538.72g/mol
Molar mass
538.7210g/mol
Density
1.1500g/cm3
Appearence

The compound is typically a colorless to pale yellow oil or viscous liquid. Its appearance can vary somewhat based on the synthesis route and particular batch characteristics.

Comment on solubility

Solubility of 4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxy-propoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate

The solubility of this complex compound, C30H47NO6P, is influenced by several factors, which can be quite interesting to explore:

  • Molecular Structure: The large and intricate structure of the compound, featuring a pyrrolidine ring and multiple functional groups, can lead to varying degrees of polarity.
  • Polarity: Generally, the presence of polar functional groups such as carboxylates and phosphoryl might enhance solubility in polar solvents like water.
  • Hydrophobic Interactions: However, the notable hydrophobic cyclohexyl and phenyl groups could decrease solubility in aqueous environments, indicating that this compound might be more soluble in organic solvents.
  • Thermal Stability: Increased temperature may enhance solubility due to heightened molecular mobility and interactions with solvents.

As with many organic compounds, solvent type plays a crucial role. For instance, in organic solvents such as ethanol or DMSO, there could be improved solubility compared to water. It's essential to conduct empirical tests to ascertain the solubility in varied solvents and conditions.

In summary, understanding the solubility of this compound is a multifaceted inquiry that requires consideration of both its polar and non-polar characteristics as well as the properties of potential solvents.

Interesting facts

Interesting Facts about 4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxy-propoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate

This compound is a fascinating example of advanced organic chemistry, showcasing the complex interplay of functional groups within a single molecule. Here are some engaging facts:

  • Multifunctionality: This compound features multiple functional groups, including carboxylates, phosphonates, and ester functionalities, making it a versatile candidate for various chemical reactions and applications.
  • Biological Activity: The incorporation of a pyrrolidine ring hints at possible biological activity. Pyrrolidines are known for their roles in pharmaceutical chemistry, where they often serve as scaffolds for drug development.
  • Phosphorylation: The presence of a phosphoryl group suggests potential applications in biochemistry, particularly in the design of molecules that interact with biological pathways, such as signal transduction and energy transfer.
  • Synthetic Complexity: The synthesis of such a compound would require advanced techniques in organic synthesis, potentially involving multiple steps including protected intermediates, selective functionalizations, and careful manipulation of stereochemistry.
  • Potential Applications: Given its structural complexity, this compound could find applications in areas such as drug design, materials science, or as a ligand in coordination chemistry.
  • Research Opportunities: Exploring the reactivity and properties of this molecular structure could open doors for innovative research in medicinal chemistry or polymer science.

In summary, 4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxy-propoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate stands out as an intriguing compound that bridges multiple fields of chemistry and offers exciting prospects for future research and application.