1-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylic acid
TL;DR: 1-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylic acid (CAS 15212-80-3) is a chemical compound with molecular formula C10H8ClN3O2 and molecular weight 237.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-chlorotriazole-4-carboxylic acid
Also Known As: 1-Benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylic acid, 1-benzyl-5-chlorotriazole-4-carboxylic acid, 1-Benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylicacid, 1H-1,2,3-Triazole,5-methoxy-1-phenyl, 1-benzyl-5-chloro-triazole-4-carboxylic Acid
| Molecular Formula | C10H8ClN3O2 |
|---|---|
| Molecular Weight | 237.03 g/mol |
| LogP | 1.678 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.0305 |
| Heavy Atoms | 16 |
| Complexity | 510.03763 |
Chemical Identifiers
| CAS Number | 15212-80-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)O)Cl |
Product Overview
1-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylic acid (CAS 15212-80-3), with molecular formula C10H8ClN3O2 and molecular weight 237.03 g/mol. IUPAC: 1-benzyl-5-chlorotriazole-4-carboxylic acid.
Chemical Property Profile of 1-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylic acid
Property Insights of 1-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylic acid
The XLogP value of 1.678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylic acid. Following Lipinski's Rule of Five, 1-benzyl-5-chloro-1H-1,2,3-triazole-4-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-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylic acid?
The CAS number of 1-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylic acid is 15212-80-3.
What is the molecular formula of 1-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylic acid?
The molecular formula of 1-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylic acid is C10H8ClN3O2.
What is the molecular weight of 1-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylic acid?
The molecular weight of 1-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylic acid is 237.03 g/mol.
Where can I buy 1-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylic acid?
You can request a quote for 1-benzyl-5-chloro-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-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.