2-(Methylsulphonyl)-5-(trifluoromethyl)benzoic acid
Names and Identifiers of 1000339-64-9
CAS Number |
1000339-64-9 |
|---|---|
MDL Number |
MFCD09264536 |
IUPAC Name |
2-methylsulfonyl-5-(trifluoromethyl)benzoic acid |
InChI |
InChI=1S/C9H7F3O4S/c1-17(15,16)7-3-2-5(9(10,11)12)4-6(7)8(13)14/h2-4H,1H3,(H,13,14) |
InChIKey |
CBZHRYXIYMQKCF-UHFFFAOYSA-N |
Canonical SMILES |
CS(=O)(=O)C1=C(C=C(C=C1)C(F)(F)F)C(=O)O |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000339-64-9
Exact Mass |
268.00200 |
|---|---|
LogP |
2.88790 |
Melting Point |
176～179℃ |
Molecular Formula |
C9H7F3O4S |
Molecular Weight |
268.21000 |
PSA |
79.82000 |
Safety Information of 1000339-64-9
Applications of 1000339-64-9
2-(Methylsulphonyl)-5-(trifluoromethyl)benzoic acid finds applications in various fields, including:
- Pharmaceutical industry: As an intermediate in the synthesis of therapeutic agents due to its potential biological activities.
- Agricultural chemicals: It may be used in developing agrochemicals due to its ability to interact with biological systems.
- Research: Utilized as a reagent in organic synthesis and medicinal chemistry studies.
Interaction Studies of 1000339-64-9
Interaction studies involving 2-(Methylsulphonyl)-5-(trifluoromethyl)benzoic acid have focused on its binding affinities with various biological targets. Preliminary studies suggest that this compound may interact with specific enzymes or receptors, potentially influencing metabolic pathways. Further research is necessary to elucidate these interactions fully and assess their implications for drug development and therapeutic applications.
Biological Activity of 1000339-64-9
Research indicates that 2-(Methylsulphonyl)-5-(trifluoromethyl)benzoic acid exhibits various biological activities. Its structural components suggest potential anti-inflammatory and analgesic properties, similar to other benzoic acid derivatives. The trifluoromethyl group may enhance lipophilicity, potentially improving bioavailability and efficacy in biological systems. Furthermore, studies have shown that compounds with similar structures can act as inhibitors in various enzymatic pathways, indicating that this compound may also possess enzyme inhibitory properties.