1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid
TL;DR: 1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid (CAS 94206-16-3) is a chemical compound with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxylic acid
Also Known As: 1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid, 1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxylic acid, AI-031/43090814, 1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylicacid
| Molecular Formula | C16H13N3O3 |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 2.6411 |
| Topological Polar Surface Area | 77.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0957 |
| Heavy Atoms | 22 |
| Complexity | 795.2632 |
Chemical Identifiers
| CAS Number | 94206-16-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)C3=CC=CC=C3 |
Product Overview
1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid (CAS 94206-16-3), with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol. IUPAC: 1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxylic acid.
Chemical Property Profile of 1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid
Property Insights of 1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid
The XLogP value of 2.6411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid. The TPSA of 77.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid has 1 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 1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid?
The CAS number of 1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid is 94206-16-3.
What is the molecular formula of 1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid?
The molecular formula of 1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid is C16H13N3O3.
What is the molecular weight of 1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid?
The molecular weight of 1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid is 295.10 g/mol.
Where can I buy 1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid?
You can request a quote for 1-(4-methoxyphenyl)-5-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 1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.