1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid
TL;DR: 1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 4600-04-8) is a chemical compound with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyltriazole-4-carboxylic acid
Also Known As: 1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid, 1-phenyltriazole-4-carboxylic acid, 1H-1,2,3-Triazole-4-carboxylic acid, 1-phenyl-, 1-phenyl-1,2,3-triazole-4-carboxylic acid, J3.073.082H
| Molecular Formula | C9H7N3O2 |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.05383 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 4600-04-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(N=N2)C(=O)O |
| InChIKey | IVDBIFHDJPMBFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 4600-04-8), with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol. IUPAC: 1-phenyltriazole-4-carboxylic acid.
Chemical Property Profile of 1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid
Property Insights of 1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid. Following Lipinski's Rule of Five, 1-Phenyl-1H-1,2,3-triazole-4-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-Phenyl-1H-1,2,3-triazole-4-carboxylic acid?
The CAS number of 1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid is 4600-04-8.
What is the molecular formula of 1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid?
The molecular formula of 1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid is C9H7N3O2.
What is the molecular weight of 1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid?
The molecular weight of 1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid is 189.05 g/mol.
Where can I buy 1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid?
You can request a quote for 1-Phenyl-1H-1,2,3-triazole-4-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-Phenyl-1H-1,2,3-triazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.