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Indomethacin

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Identification
Molecular formula
C19H16ClNO4
CAS number
53-86-1
IUPAC name
3-[[1-(1H-indol-3-ylmethyl)-2-oxo-2-(1-phenylethylamino)ethyl]carbamoyl]-5-methyl-hexanoic acid
State
State
Solid at room temperature.
Melting point (Celsius)
158.00
Melting point (Kelvin)
431.20
Boiling point (Celsius)
394.60
Boiling point (Kelvin)
667.80
General information
Molecular weight
357.80g/mol
Molar mass
357.7950g/mol
Density
1.3770g/cm3
Appearence
Indomethacin appears as a white to yellow crystalline powder.
Comment on solubility

Solubility of 3-[[1-(1H-indol-3-ylmethyl)-2-oxo-2-(1-phenylethylamino)ethyl]carbamoyl]-5-methyl-hexanoic acid

The solubility of the compound 3-[[1-(1H-indol-3-ylmethyl)-2-oxo-2-(1-phenylethylamino)ethyl]carbamoyl]-5-methyl-hexanoic acid, with the chemical formula C19H16ClNO4, can be influenced by several factors. Understanding its solubility profile is crucial for its application in various fields, especially in pharmacology and material science. Here are some key points to consider:

  • Polarity: The presence of multiple functional groups such as the carboxylic acid indicates a degree of polarity, which can enhance solubility in polar solvents such as water.
  • Hydrogen Bonding: The compound may engage in hydrogen bonding due to the carboxylic acid and amine functionalities, further promoting solubility in aqueous environments.
  • Solvent Choice: Solubility may vary significantly between organic solvents and aqueous solutions. It might be more soluble in organic solvents like ethanol or dimethyl sulfoxide (DMSO).
  • Temperature and pH: These parameters can greatly affect solubility. Generally, increasing temperature may enhance solubility for many organic compounds.
  • Concentration Effects: The solubility limit might be influenced by the concentration of the compound in a solution, with saturation points being critical for practical applications.

Overall, while this compound shows potential for solubility in various environments, further empirical testing is needed to determine the precise solubility characteristics across different solvents and conditions. A comprehensive understanding will enable optimized use in formulations and applications.

Interesting facts

Interesting Facts about 3-[[1-(1H-indol-3-ylmethyl)-2-oxo-2-(1-phenylethylamino)ethyl]carbamoyl]-5-methyl-hexanoic acid

This complex compound is an intriguing example of how organic chemistry can combine various functional groups to create molecules with potential biological activity. Below are some noteworthy aspects of this fascinating compound:

  • Structural Diversity: The molecule integrates an indole ring, known for its presence in many natural products and pharmaceuticals, which may contribute to its biological properties.
  • Potential Therapeutic Applications: Compounds like this one are often investigated for their ability to modulate biological pathways, making them targets for drug development, especially in oncology and neurology.
  • Importance of Substituents: The presence of various functional groups, such as the carbamoyl and oxo groups, can significantly influence the compound's reactivity and interaction with biological targets, highlighting the importance of *structure-activity relationships (SAR)* in medicinal chemistry.
  • Synthetic Challenges: The synthesis of such a compound can be quite challenging due to its intricate structure, requiring multiple steps and precise conditions, which is both a testament to and a skill of the synthetic chemist.
  • Indole Moiety: This component not only enhances the compound's potential interaction with biological systems but also gives it interesting photophysical properties, making it applicable in various contexts, from drug design to organic electronics.

The exploration of compounds like 3-[[1-(1H-indol-3-ylmethyl)-2-oxo-2-(1-phenylethylamino)ethyl]carbamoyl]-5-methyl-hexanoic acid reflects the *endless possibilities* within organic chemistry and emphasizes the rich interconnection between molecular structure and function.

Synonyms
3-({3-(1H-indol-3-yl)-1-oxo-1-[(1-phenylethyl)amino]propan-2-yl}carbamoyl)-5-methylhexanoic acid
3-[[3-(1H-indol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamoyl]-5-methylhexanoic acid
171347-75-4
N-[(2R)-2-(Carboxymethyl)-4-methylpentanoyl]-L-tryptophan-(S)-methyl-benzylamide
WGA34775