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Fosaprepitant

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Identification
Molecular formula
C30H32F7N4O4P
CAS number
172673-20-0
IUPAC name
1-[3-methoxy-4-[4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butoxy]phenyl]ethanone
State
State

At room temperature, Fosaprepitant remains in a solid crystalline form.

Melting point (Celsius)
244.50
Melting point (Kelvin)
517.70
Boiling point (Celsius)
342.50
Boiling point (Kelvin)
615.70
General information
Molecular weight
615.66g/mol
Molar mass
615.6620g/mol
Density
1.1548g/cm3
Appearence

Fosaprepitant is often encountered as a white to off-white crystalline powder that is practically insoluble in water, sparingly soluble in acetonitrile and freely soluble in dichloromethane.

Comment on solubility

Solubility of 1-[3-methoxy-4-[4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butoxy]phenyl]ethanone

The solubility of 1-[3-methoxy-4-[4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butoxy]phenyl]ethanone in various solvents is an important aspect to consider for its potential applications. The solubility can vary significantly based on the solvent used, influenced by both the chemical structure and potential intermolecular interactions.

Key Factors Affecting Solubility:

  • Polarity of the Solvent: The compound being a complex organic molecule is likely to have limited solubility in polar solvents like water but might be more soluble in non-polar or slightly polar organic solvents such as ethanol or DMSO.
  • Hydrophilic and Hydrophobic Regions: The presence of methoxy and pyrrolidine groups may enhance solubility in organic solvents while potentially decreasing solubility in water.
  • Temperature: Increased temperature often improves solubility, thus it may be beneficial to conduct solubility tests at elevated temperatures.

In general, compounds like this one with larger, more complex organic structures often exhibit lower solubility in aqueous environments compared to smaller, less complex molecules. It is recommended to conduct specific solubility tests to determine the precise behavior in various solvents.

Understanding these solubility characteristics is crucial for researchers, as they directly impact the compound's efficacy in biological systems and its usability in formulating pharmaceutical or chemical products.

Interesting facts

Interesting Facts About 1-[3-Methoxy-4-[4-[3-(2-Methoxyphenoxy)pyrrolidin-1-yl]butoxy]phenyl]ethanone

This compound is a fascinating example of a synthetic organic molecule with potential therapeutic applications. Here are some engaging points to consider:

  • Complex Structure: The molecular architecture of this compound is intricate, featuring multiple functional groups that suggest applications in medicinal chemistry. Its delineated structure includes aromatic rings, ether linkages, and a pyrrolidine moiety, which can significantly influence its biological activity.
  • Potential Pharmacological Properties: Driven by its unique design, researchers are investigating its potential as a therapeutic agent in various diseases, including its possible role as a selective modulator. Compounds with similar frameworks have shown promise in targeting specific receptors in the nervous system.
  • Analog Research: Scientists often use variations of this compound to develop analogs that enhance efficacy or reduce side effects. Exploring these derivations can lead to new insights and better drug candidates.
  • Role of Methoxy Groups: The presence of methoxy groups in the structure is imperative because they can aid in enhancing lipophilicity, influencing how the compound interacts within biological systems.
  • Innovative Solubilization: The ether linkages present may also contribute to solubilization in different solvents, making it a fascinating subject for solubility studies in drug formulation.

In conclusion, 1-[3-methoxy-4-[4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butoxy]phenyl]ethanone stands at the intersection of chemistry and pharmacology, inspiring ongoing research aimed at unraveling its full potential in the field of medicinal chemistry. As with any complex compound, understanding its properties and mechanisms will surely open doors to innovative therapeutic solutions.