5-Phenyl-1-(p-tolyl)-1H-1,2,4-triazole-3-carboxylic acid
TL;DR: 5-Phenyl-1-(p-tolyl)-1H-1,2,4-triazole-3-carboxylic acid (CAS 94066-24-7) is a chemical compound with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxylic acid
Also Known As: 5-Phenyl-1-(p-tolyl)-1H-1,2,4-triazole-3-carboxylic acid, 1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxylic acid, AI-031/43090813, 1-(4-methylphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid, 5-Phenyl-1-(p-tolyl)-1H-1,2,4-triazole-3-carboxylicacid
| Molecular Formula | C16H13N3O2 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 2.94092 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.10077 |
| Heavy Atoms | 21 |
| Complexity | 777.04156 |
Chemical Identifiers
| CAS Number | 94066-24-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)C3=CC=CC=C3 |
Product Overview
5-Phenyl-1-(p-tolyl)-1H-1,2,4-triazole-3-carboxylic acid (CAS 94066-24-7), with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol. IUPAC: 1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxylic acid.
Chemical Property Profile of 5-Phenyl-1-(p-tolyl)-1H-1,2,4-triazole-3-carboxylic acid
Property Insights of 5-Phenyl-1-(p-tolyl)-1H-1,2,4-triazole-3-carboxylic acid
The XLogP value of 2.94092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-1-(p-tolyl)-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-Phenyl-1-(p-tolyl)-1H-1,2,4-triazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-Phenyl-1-(p-tolyl)-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-Phenyl-1-(p-tolyl)-1H-1,2,4-triazole-3-carboxylic acid?
The CAS number of 5-Phenyl-1-(p-tolyl)-1H-1,2,4-triazole-3-carboxylic acid is 94066-24-7.
What is the molecular formula of 5-Phenyl-1-(p-tolyl)-1H-1,2,4-triazole-3-carboxylic acid?
The molecular formula of 5-Phenyl-1-(p-tolyl)-1H-1,2,4-triazole-3-carboxylic acid is C16H13N3O2.
What is the molecular weight of 5-Phenyl-1-(p-tolyl)-1H-1,2,4-triazole-3-carboxylic acid?
The molecular weight of 5-Phenyl-1-(p-tolyl)-1H-1,2,4-triazole-3-carboxylic acid is 279.10 g/mol.
Where can I buy 5-Phenyl-1-(p-tolyl)-1H-1,2,4-triazole-3-carboxylic acid?
You can request a quote for 5-Phenyl-1-(p-tolyl)-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-Phenyl-1-(p-tolyl)-1H-1,2,4-triazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-1-(p-tolyl)-1H-1,2,4-triazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.