1-(2-Chloroethyl)-1H-1,2,4-triazole
TL;DR: 1-(2-Chloroethyl)-1H-1,2,4-triazole (CAS 3236-66-6) is a chemical compound with molecular formula C4H6ClN3 and molecular weight 131.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-1,2,4-triazole
Also Known As: 1-(2-chloroethyl)-1H-1,2,4-triazole, 1-(2-chloroethyl)-1,2,4-triazole, CHEMBRDG-BB 4010918, 1H-1,2,4-Triazole,1-(2-chloroethyl)-, trans-2,3-Dibromo-2-butene-1,4-diol
| Molecular Formula | C4H6ClN3 |
|---|---|
| Molecular Weight | 131.03 g/mol |
| LogP | 0.5169 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 131.02502 |
| Heavy Atoms | 8 |
| Complexity | 137.00346 |
Chemical Identifiers
| CAS Number | 3236-66-6 |
|---|---|
| SMILES | C1=NN(C=N1)CCCl |
Product Overview
1-(2-Chloroethyl)-1H-1,2,4-triazole (CAS 3236-66-6), with molecular formula C4H6ClN3 and molecular weight 131.03 g/mol. IUPAC: 1-(2-chloroethyl)-1,2,4-triazole.
Chemical Property Profile of 1-(2-Chloroethyl)-1H-1,2,4-triazole
Property Insights of 1-(2-Chloroethyl)-1H-1,2,4-triazole
The XLogP value of 0.5169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)-1H-1,2,4-triazole. With a topological polar surface area (TPSA) of 30.71 Ų, 1-(2-Chloroethyl)-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-1H-1,2,4-triazole has 0 hydrogen bond donor(s) and 2 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-(2-Chloroethyl)-1H-1,2,4-triazole?
The CAS number of 1-(2-Chloroethyl)-1H-1,2,4-triazole is 3236-66-6.
What is the molecular formula of 1-(2-Chloroethyl)-1H-1,2,4-triazole?
The molecular formula of 1-(2-Chloroethyl)-1H-1,2,4-triazole is C4H6ClN3.
What is the molecular weight of 1-(2-Chloroethyl)-1H-1,2,4-triazole?
The molecular weight of 1-(2-Chloroethyl)-1H-1,2,4-triazole is 131.03 g/mol.
Where can I buy 1-(2-Chloroethyl)-1H-1,2,4-triazole?
You can request a quote for 1-(2-Chloroethyl)-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.