2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate
TL;DR: 2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate (CAS 66760-20-1) is a chemical compound with molecular formula C11H10ClN3O2 and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2,4-triazol-1-yl)ethyl 4-chlorobenzoate
Also Known As: 2-(1,2,4-triazol-1-yl)ethyl 4-chlorobenzoate, 4-Chlorobenzoic acid 2-(1H-1,2,4-triazol-1-yl)ethyl ester, Benzoic acid, 4-chloro-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester, 2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate, Chloro-4 benzoate d'(hydroxy-2 ethyl)-1 triazole-1,2,4 [French]
| Molecular Formula | C11H10ClN3O2 |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 1.7885 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.04616 |
| Heavy Atoms | 17 |
| Complexity | 481.92746 |
Chemical Identifiers
| CAS Number | 66760-20-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCCN2C=NC=N2)Cl |
Product Overview
2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate (CAS 66760-20-1), with molecular formula C11H10ClN3O2 and molecular weight 251.05 g/mol. IUPAC: 2-(1,2,4-triazol-1-yl)ethyl 4-chlorobenzoate.
Chemical Property Profile of 2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate
Property Insights of 2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate
The XLogP value of 1.7885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate. With a topological polar surface area (TPSA) of 57.01 Ų, 2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate has 0 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 2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate?
The CAS number of 2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate is 66760-20-1.
What is the molecular formula of 2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate?
The molecular formula of 2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate is C11H10ClN3O2.
What is the molecular weight of 2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate?
The molecular weight of 2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate is 251.05 g/mol.
Where can I buy 2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate?
You can request a quote for 2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,4-Triazol-1-yl)ethyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.