![5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid structure](/static/products/3390/339012-83-8.webp)
5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid
TL;DR: 5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid (CAS 339012-83-8) is a chemical compound with molecular formula C13H9F3N2O4 and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,2-oxazole-3-carboxylic acid
Also Known As: 5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid, 3-carboxy-5-methylisoxazole-4-carbox(3-trifluoromethyl)anilide, 5-Methyl-4-((3-(trifluoromethyl)phenyl)carbamoyl)isoxazole-3-carboxylic acid, 5-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,2-oxazole-3-carboxylic Acid, 5-methyl-4-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,2-oxazole-3-carboxylic acid
| Molecular Formula | C13H9F3N2O4 |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 2.95232 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.05145 |
| Heavy Atoms | 22 |
| Complexity | 737.1267 |
Chemical Identifiers
| CAS Number | 339012-83-8 |
|---|---|
| SMILES | CC1=C(C(=NO1)C(=O)O)C(=O)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid (CAS 339012-83-8), with molecular formula C13H9F3N2O4 and molecular weight 314.05 g/mol. IUPAC: 5-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,2-oxazole-3-carboxylic acid.
Chemical Property Profile of 5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid
Property Insights of 5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid
The XLogP value of 2.95232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid. The TPSA of 92.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid. Following Lipinski's Rule of Five, 5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid?
The CAS number of 5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid is 339012-83-8.
What is the molecular formula of 5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid?
The molecular formula of 5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid is C13H9F3N2O4.
What is the molecular weight of 5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid?
The molecular weight of 5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid is 314.05 g/mol.
Where can I buy 5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid?
You can request a quote for 5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-4-{[3-(trifluoromethyl)anilino]carbonyl}-3-isoxazolecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.