![5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid structure](/static/products/1030/103058-77-1.webp)
5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid
TL;DR: 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid (CAS 103058-77-1) is a chemical compound with molecular formula C11H8F3N3O2 and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid
Also Known As: 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid, 1H-326S, 5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic Acid, BB 0239033, I14-15491
| Molecular Formula | C11H8F3N3O2 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 2.29272 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.05685 |
| Heavy Atoms | 19 |
| Complexity | 634.3559 |
Chemical Identifiers
| CAS Number | 103058-77-1 |
|---|---|
| SMILES | CC1=NC(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)O |
Product Overview
5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid (CAS 103058-77-1), with molecular formula C11H8F3N3O2 and molecular weight 271.06 g/mol. IUPAC: 5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid.
Chemical Property Profile of 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid
Property Insights of 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid
The XLogP value of 2.29272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid?
The CAS number of 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid is 103058-77-1.
What is the molecular formula of 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid?
The molecular formula of 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid is C11H8F3N3O2.
What is the molecular weight of 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid?
The molecular weight of 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid is 271.06 g/mol.
Where can I buy 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid?
You can request a quote for 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic 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-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.