![3-Chloromethyl-4H-[1,2,4]triazole structure](/static/products/5592/55928-92-2.webp)
3-Chloromethyl-4H-[1,2,4]triazole
TL;DR: 3-Chloromethyl-4H-[1,2,4]triazole (CAS 55928-92-2) is a chemical compound with molecular formula C3H4ClN3 and molecular weight 117.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-1H-1,2,4-triazole
Also Known As: 3-CHLOROMETHYL-4H-[1,2,4]TRIAZOLE, 5-(chloromethyl)-1H-1,2,4-triazole, 3-Chlormethyl-1,2,4-triazol, 3-(chloromethyl)-1H-1,2,4-triazole, 3-(CHLOROMETHYL)-4H-1,2,4-TRIAZOLE
| Molecular Formula | C3H4ClN3 |
|---|---|
| Molecular Weight | 117.01 g/mol |
| LogP | 0.5435 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 117.00938 |
| Heavy Atoms | 7 |
| Complexity | 124.73596 |
Chemical Identifiers
| CAS Number | 55928-92-2 |
|---|---|
| SMILES | C1=NNC(=N1)CCl |
Product Overview
3-Chloromethyl-4H-[1,2,4]triazole (CAS 55928-92-2), with molecular formula C3H4ClN3 and molecular weight 117.01 g/mol. IUPAC: 5-(chloromethyl)-1H-1,2,4-triazole.
Chemical Property Profile of 3-Chloromethyl-4H-[1,2,4]triazole
Property Insights of 3-Chloromethyl-4H-[1,2,4]triazole
The XLogP value of 0.5435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloromethyl-4H-[1,2,4]triazole. With a topological polar surface area (TPSA) of 41.57 Ų, 3-Chloromethyl-4H-[1,2,4]triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloromethyl-4H-[1,2,4]triazole has 1 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 3-Chloromethyl-4H-[1,2,4]triazole?
The CAS number of 3-Chloromethyl-4H-[1,2,4]triazole is 55928-92-2.
What is the molecular formula of 3-Chloromethyl-4H-[1,2,4]triazole?
The molecular formula of 3-Chloromethyl-4H-[1,2,4]triazole is C3H4ClN3.
What is the molecular weight of 3-Chloromethyl-4H-[1,2,4]triazole?
The molecular weight of 3-Chloromethyl-4H-[1,2,4]triazole is 117.01 g/mol.
Where can I buy 3-Chloromethyl-4H-[1,2,4]triazole?
You can request a quote for 3-Chloromethyl-4H-[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 3-Chloromethyl-4H-[1,2,4]triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloromethyl-4H-[1,2,4]triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.