Triazole-4-carboxylic acid, 2-(2-fluorophenyl)-
TL;DR: Triazole-4-carboxylic acid, 2-(2-fluorophenyl)- (CAS 5458-46-8) is a chemical compound with molecular formula C9H6FN3O2 and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-fluorophenyl)triazole-4-carboxylic acid
Also Known As: 2-(2-Fluorophenyl)-2H-1,2,3-triazole-4-carboxylic acid, 2-(2-fluorophenyl)triazole-4-carboxylic acid, Triazole-4-carboxylic acid, 2-(2-fluorophenyl)-, 2H-1,2,3-Triazole-4-carboxylic acid, 2-(2-fluorophenyl)-, 2-(2-Fluorophenyl)-2H-1,2,3-triazole-4-carboxylicacid
| Molecular Formula | C9H6FN3O2 |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.0444 |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 5458-46-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N2N=CC(=N2)C(=O)O)F |
| InChIKey | FFPUYYDCLFRZGG-UHFFFAOYSA-N |
Product Overview
Triazole-4-carboxylic acid, 2-(2-fluorophenyl)- (CAS 5458-46-8), with molecular formula C9H6FN3O2 and molecular weight 207.04 g/mol. IUPAC: 2-(2-fluorophenyl)triazole-4-carboxylic acid.
Chemical Property Profile of Triazole-4-carboxylic acid, 2-(2-fluorophenyl)-
Property Insights of Triazole-4-carboxylic acid, 2-(2-fluorophenyl)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triazole-4-carboxylic acid, 2-(2-fluorophenyl)-. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triazole-4-carboxylic acid, 2-(2-fluorophenyl)-. Following Lipinski's Rule of Five, Triazole-4-carboxylic acid, 2-(2-fluorophenyl)- has 1 hydrogen bond donor(s) and 5 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 Triazole-4-carboxylic acid, 2-(2-fluorophenyl)-?
The CAS number of Triazole-4-carboxylic acid, 2-(2-fluorophenyl)- is 5458-46-8.
What is the molecular formula of Triazole-4-carboxylic acid, 2-(2-fluorophenyl)-?
The molecular formula of Triazole-4-carboxylic acid, 2-(2-fluorophenyl)- is C9H6FN3O2.
What is the molecular weight of Triazole-4-carboxylic acid, 2-(2-fluorophenyl)-?
The molecular weight of Triazole-4-carboxylic acid, 2-(2-fluorophenyl)- is 207.04 g/mol.
Where can I buy Triazole-4-carboxylic acid, 2-(2-fluorophenyl)-?
You can request a quote for Triazole-4-carboxylic acid, 2-(2-fluorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triazole-4-carboxylic acid, 2-(2-fluorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Triazole-4-carboxylic acid, 2-(2-fluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.