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Rofecoxib

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Identification
Molecular formula
C17H14O4
CAS number
,125091-61-2
IUPAC name
2-(2-benzoylanilino)-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]propanoic acid
State
State

At room temperature, rofecoxib exists as a solid powder.

Melting point (Celsius)
162.00
Melting point (Kelvin)
435.20
Boiling point (Celsius)
538.20
Boiling point (Kelvin)
811.30
General information
Molecular weight
314.38g/mol
Molar mass
314.3780g/mol
Density
1.4300g/cm3
Appearence

Rofecoxib is a substance that typically appears as a white to off-white crystalline powder.

Comment on solubility

Solubility of 2-(2-benzoylanilino)-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]propanoic acid

The solubility of the compound with the formula C17H14O4 can be highly influenced by various factors due to its complex structure.

Key aspects to consider regarding the solubility of this compound include:

  • Polarity: The presence of polar functional groups such as carboxylic acid can enhance solubility in polar solvents like water.
  • Hydrogen Bonding: The potential for hydrogen bonding between the carboxylic group and solvents can further promote solubility.
  • Hydrophobic Regions: Conversely, the presence of hydrophobic phenyl rings may reduce solubility in aqueous environments, pushing towards non-polar solvents.
  • Temperature: The solubility is likely to increase at elevated temperatures, enabling greater interaction with solvents.
  • pH Levels: The pH of the solution can also play a critical role; at different pH levels, the ionic form of the carboxylic acid may enhance solubility.

In summary, the solubility of this compound is a delicate balance between its polar and non-polar characteristics. As such, it may demonstrate variable solubility depending on the solvent choice, temperature, and pH conditions. Further experimentation would be crucial to accurately delineate its solubility profile under various conditions.

Interesting facts

Interesting Facts about 2-(2-benzoylanilino)-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]propanoic acid

This compound, a member of the propanoic acid class, is notable for its potential therapeutic applications. Numerous studies suggest that derivatives within this class may exhibit anti-inflammatory and analgesic properties, making them of interest to pharmaceutical research.

Key Highlights

  • Complex Structure: The structural complexity of this compound is remarkable, featuring a mix of anilino, benzoyl, and oxazole functionalities. This intricate arrangement suggests potential for a variety of interactions with biological targets.
  • Pharmacological Potential: Researchers are investigating the compound's effectiveness in treating conditions such as rheumatoid arthritis and pain management due to its ability to modulate inflammatory pathways.
  • Oxazole Importance: The oxazole ring in its structure is a key feature, known for its presence in many biologically active compounds. This contributes to the overall reactivity and interaction potential of the molecule.
  • Experimental Studies: Preliminary results from experimental studies indicate promising biological activity, leading to further exploration in targeted organic synthesis and medicinal chemistry.

In summary, 2-(2-benzoylanilino)-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]propanoic acid stands out due to its intriguing structural characteristics and the exciting prospects it holds in medicine. As research continues, it may pave the way for the development of novel therapeutic agents.

Synonyms
G1 262570; GI 262570; GI 262570X
SCHEMBL2208414
DTXSID10861487
AKOS015842343
N-(2-benzoylphenyl)-O-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]tyrosine