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Carmofur

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Identification
Molecular formula
C22H22N2O6
CAS number
61422-45-5
IUPAC name
2-[4-[2-[(1-carboxy-2-phenyl-ethyl)carbamoylamino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid
State
State
Carmofur is typically in a solid state at room temperature. It is used in the manufacture of pharmaceutical formulations.
Melting point (Celsius)
117.00
Melting point (Kelvin)
390.15
Boiling point (Celsius)
308.20
Boiling point (Kelvin)
581.35
General information
Molecular weight
339.42g/mol
Molar mass
339.4040g/mol
Density
1.2700g/cm3
Appearence

Carmofur appears as an off-white to pale yellow crystalline powder.

Comment on solubility

Solubility of 2-[4-[2-[(1-carboxy-2-phenyl-ethyl)carbamoylamino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid (C22H22N2O6)

The solubility of 2-[4-[2-[(1-carboxy-2-phenyl-ethyl)carbamoylamino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid is influenced by its complex molecular structure. Various factors contribute to its solubility characteristics:

  • Polarity: The presence of polar functional groups, such as carboxylic acid and amide moieties, suggests that the compound may exhibit some level of solubility in polar solvents like water.
  • Hydrophobicity: The pentylamino and phenyl groups introduce hydrophobic elements, which can limit solubility in highly polar solvents.
  • pH Dependence: The solubility may vary significantly with pH, owing to the ionizable carboxylic acid group, which can enhance solubility in alkaline conditions due to deprotonation.
  • Solvent Interactions: The compound is likely to dissolve more readily in organic solvents compared to aqueous environments, especially those that can form hydrogen bonds.

In summary, the solubility of this compound is a result of competing interactions between its polar and non-polar regions. This can lead to variable solubility behaviors depending on the solvent choice:

  1. In water: Moderate solubility is expected primarily due to ionic interactions and hydrogen bonding.
  2. In organic solvents: Enhanced solubility may be observed, particularly in non-polar or moderately polar solvents.

Understanding these solubility dynamics is crucial for applications in pharmaceuticals, where solubility can directly impact bioavailability and efficacy.

Interesting facts

Interesting Facts about 2-[4-[2-[(1-carboxy-2-phenyl-ethyl)carbamoylamino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid

This compound, often recognized for its complex structure and multifaceted applications, presents an intriguing study opportunity for chemists and researchers alike. Here are some compelling aspects of this molecule:

  • Pharmaceutical Potential: Its unique formulation suggests that it may have potential therapeutic applications, particularly in drug design. Compounds with such intricate structures often exhibit interesting biological activities that can be harnessed for medicinal purposes.
  • Structure-Activity Relationship: The diverse functional groups present in the structure allow for an exploration of the structure-activity relationships. Understanding how changes in its structure affect its biological activity can bolster drug development efforts.
  • Intermolecular Interactions: Due to its capacity for forming various hydrogen bonds and other intermolecular interactions, this compound could serve as a model for studying solubility and stability in drug formulation. The different functional groups may interact in unique ways, paving the road for innovative formulations.
  • Research Versatility: This compound can be utilized across several disciplines, including medicinal chemistry, pharmacology, and biochemistry. It allows researchers to explore its effects on various biological pathways, contributing to a deeper understanding of complex biochemical mechanisms.
  • Analytical Techniques: The intricate nature of the molecule necessitates the use of advanced analytical techniques like NMR, mass spectrometry, and chromatography for its characterization. These techniques not only aid in confirming its structure but also provide valuable insights into its purity and potential isomers.

In summary, 2-[4-[2-[(1-carboxy-2-phenyl-ethyl)carbamoylamino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid is much more than just a chemical compound; it is a gateway to understanding the complexities of molecular interactions and the quest for novel therapeutic agents. The scientific community continues to unveil its mysteries, making it a fascinating subject for ongoing research.

Synonyms
SCHEMBL4315647
PD042570