1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester
TL;DR: 1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester (CAS 88474-33-3) is a chemical compound with molecular formula C4H4ClN3O2 and molecular weight 161.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-2H-triazole-4-carboxylate
Also Known As: methyl 5-chloro-1H-1,2,3-triazole-4-carboxylate, 5-Chloro-1H-1,2,3-triazole-4-carboxylic acid methyl ester, 5-Chloro-1H-[1,2,3]triazole-4-carboxylic acid methyl ester, methyl 5-chloro-2H-triazole-4-carboxylate, ZERO/005062
| Molecular Formula | C4H4ClN3O2 |
|---|---|
| Molecular Weight | 161.00 g/mol |
| LogP | 0.2447 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.9992 |
| Heavy Atoms | 10 |
| Complexity | 246.40567 |
Chemical Identifiers
| CAS Number | 88474-33-3 |
|---|---|
| SMILES | COC(=O)C1=NNN=C1Cl |
Product Overview
1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester (CAS 88474-33-3), with molecular formula C4H4ClN3O2 and molecular weight 161.00 g/mol. IUPAC: methyl 5-chloro-2H-triazole-4-carboxylate.
Chemical Property Profile of 1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester
Property Insights of 1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester
The XLogP value of 0.2447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester. Following Lipinski's Rule of Five, 1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester 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 1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester?
The CAS number of 1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester is 88474-33-3.
What is the molecular formula of 1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester?
The molecular formula of 1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester is C4H4ClN3O2.
What is the molecular weight of 1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester?
The molecular weight of 1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester is 161.00 g/mol.
Where can I buy 1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester?
You can request a quote for 1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.