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Febuxostat

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Identification
Molecular formula
C16H16ClNO2S
CAS number
144060-53-7
IUPAC name
2-[2-(4-chlorophenyl)-4-methyl-thiazol-5-yl]acetic acid
State
State

At room temperature, febuxostat is typically found in a solid state.

Melting point (Celsius)
204.00
Melting point (Kelvin)
477.15
Boiling point (Celsius)
412.80
Boiling point (Kelvin)
685.95
General information
Molecular weight
316.81g/mol
Molar mass
316.8070g/mol
Density
1.4600g/cm3
Appearence

Febuxostat appears as a white or off-white crystalline powder. It is practically insoluble in water, sparingly soluble in ethanol, and very slightly soluble in methanol and acetonitrile.

Comment on solubility

Solubility of 2-[2-(4-chlorophenyl)-4-methyl-thiazol-5-yl]acetic acid

The solubility of 2-[2-(4-chlorophenyl)-4-methyl-thiazol-5-yl]acetic acid can be influenced by various factors due to its complex structure. When assessing its solubility, consider the following aspects:

  • Polarity: The presence of the thiazole ring and the acetic acid functional group contributes to the compound's overall polarity. Such properties often enhance solubility in polar solvents like water.
  • Functional Groups: The carboxylic acid group (-COOH) typically increases solubility in water due to its ability to form hydrogen bonds.
  • Solvent Compatibility: When evaluating solubility, it is beneficial to test various solvents, including ethanol, methanol, and dimethyl sulfoxide (DMSO), which might facilitate better solvation of the compound.
  • Temperature Influence: Generally, increasing temperature can improve the solubility of organic compounds in liquids, making it essential to conduct tests at different temperatures.

As with many organic compounds, determining solubility might require specific experimental approaches. It's worth noting that even minor variations in molecular structure can significantly impact solubility behavior. Thus, empirical data should be utilized in conjunction with theoretical predictions for an accurate understanding of solubility in practical applications.

Interesting facts

Interesting Facts About 2-[2-(4-chlorophenyl)-4-methyl-thiazol-5-yl]acetic Acid

2-[2-(4-chlorophenyl)-4-methyl-thiazol-5-yl]acetic acid is a fascinating compound that combines both organic and medicinal properties, making it an important subject of study in the field of chemistry. Here are some intriguing aspects:

  • Therapeutic Potential: This compound belongs to a class of thiazole derivatives known for their biological activity. It has shown promise in various therapeutic applications, particularly in anti-inflammatory and analgesic contexts.
  • Structural Highlights: The presence of a thiazole ring enhances the compound's physiological properties. Thiazoles are known for their diverse roles in medicinal chemistry, contributing to their reactivity and effectiveness in drug design.
  • Chlorophenyl Influence: With the 4-chlorophenyl group attached, the compound exhibits unique electrical and electronic properties that can influence its biological interactions. Chlorinated aromatic compounds often enhance lipophilicity, which can aid in cellular permeability.
  • Analytical Techniques: Scientists use various techniques such as NMR spectroscopy and mass spectrometry to explore the structural characteristics and purity of this compound. Such analyses are crucial for understanding its behavior in biological systems.
  • Research Applications: Ongoing research is examining its potential in drug formulations and the development of novel therapeutics targeting specific diseases. The compound serves as a benchmark for synthesizing other thiazole-based medicines.

“Compounds such as 2-[2-(4-chlorophenyl)-4-methyl-thiazol-5-yl]acetic acid exemplify the intricate relationship between molecular structure and biological activity.”

This compound illustrates the beauty of chemistry and the potential for discovering new medicinal pathways through molecular innovation. With ongoing studies and research, it is likely to unveil even more about the à complex interactions between small molecules and biological systems.

Synonyms
2-(p-Chlorophenyl)-4-methyl-5-thiazoleacetic acid
17969-41-4
BRN 1122113
5-THIAZOLEACETIC ACID, 2-(p-CHLOROPHENYL)-4-METHYL-
DTXSID00170853
2-(4'-Chlorophenyl)-4-methylthiazole-5-acetic acid
DTXCID0093344
PQLZUIFGDGNALU-UHFFFAOYSA-N
2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
Acide p-chlorophenyl-2 methyl-4-thiazole-acetique-5
Acide p-chlorophenyl-2 methyl-4-thiazole-acetique-5 [French]
SCHEMBL2069982
AKOS013989954
2-[2-(4-chlorophenyl)-4-methylthiazol-5-yl]acetic acid
[2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid #