1-phenyl-1H-1,2,3-triazole-5-carboxylic acid
TL;DR: 1-phenyl-1H-1,2,3-triazole-5-carboxylic acid (CAS 15966-72-0) 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.
3-phenyltriazole-4-carboxylic acid
Also Known As: 1-PHENYL-1H-1,2,3-TRIAZOLE-5-CARBOXYLIC ACID, 3-phenyltriazole-4-carboxylic Acid, (2-methoxypropyl)methylamine, 1H-1,2,3-Triazole-5-carboxylic acid, 1-phenyl-, 1H-1,2,3-Triazole-5-carboxylicacid, 1-phenyl-
| Molecular Formula | C9H7N3O2 |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | 0.9655 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.05383 |
| Heavy Atoms | 14 |
| Complexity | 450.09045 |
Chemical Identifiers
| CAS Number | 15966-72-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=CN=N2)C(=O)O |
Product Overview
1-phenyl-1H-1,2,3-triazole-5-carboxylic acid (CAS 15966-72-0), with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol. IUPAC: 3-phenyltriazole-4-carboxylic acid.
Chemical Property Profile of 1-phenyl-1H-1,2,3-triazole-5-carboxylic acid
Property Insights of 1-phenyl-1H-1,2,3-triazole-5-carboxylic acid
The XLogP value of 0.9655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-1H-1,2,3-triazole-5-carboxylic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-phenyl-1H-1,2,3-triazole-5-carboxylic acid. Following Lipinski's Rule of Five, 1-phenyl-1H-1,2,3-triazole-5-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 1-phenyl-1H-1,2,3-triazole-5-carboxylic acid?
The CAS number of 1-phenyl-1H-1,2,3-triazole-5-carboxylic acid is 15966-72-0.
What is the molecular formula of 1-phenyl-1H-1,2,3-triazole-5-carboxylic acid?
The molecular formula of 1-phenyl-1H-1,2,3-triazole-5-carboxylic acid is C9H7N3O2.
What is the molecular weight of 1-phenyl-1H-1,2,3-triazole-5-carboxylic acid?
The molecular weight of 1-phenyl-1H-1,2,3-triazole-5-carboxylic acid is 189.05 g/mol.
Where can I buy 1-phenyl-1H-1,2,3-triazole-5-carboxylic acid?
You can request a quote for 1-phenyl-1H-1,2,3-triazole-5-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-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-1H-1,2,3-triazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.