ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate
TL;DR: ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate (CAS 127686-06-0) is a chemical compound with molecular formula C12H13ClN4O2 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxylate
Also Known As: ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate, AO-476/43380449, BRD-K57565276-001-01-4, ethyl 5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxylate, ethyl 5-amino-1-[(2-chlorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
| Molecular Formula | C12H13ClN4O2 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 1.7387 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.0727 |
| Heavy Atoms | 19 |
| Complexity | 597.16534 |
Chemical Identifiers
| CAS Number | 127686-06-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2Cl)N |
Product Overview
ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate (CAS 127686-06-0), with molecular formula C12H13ClN4O2 and molecular weight 280.07 g/mol. IUPAC: ethyl 5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxylate.
Chemical Property Profile of ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate
Property Insights of ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 1.7387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate 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 ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate?
The CAS number of ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate is 127686-06-0.
What is the molecular formula of ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate is C12H13ClN4O2.
What is the molecular weight of ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate is 280.07 g/mol.
Where can I buy ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-amino-1-(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.