![3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole structure](/static/products/3391/339105-69-0.webp)
3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole
TL;DR: 3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole (CAS 339105-69-0) is a chemical compound with molecular formula C9H8ClN3O2S and molecular weight 257.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methylsulfonyl]-1H-1,2,4-triazole
Also Known As: 3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole, 8N-353S, 3-((4-Chlorobenzyl)sulfonyl)-1H-1,2,4-triazole, 3-((4-chlorobenzyl)sulfonyl)-4H-1,2,4-triazole, 5-[(4-chlorophenyl)methylsulfonyl]-1H-1,2,4-triazole
| Molecular Formula | C9H8ClN3O2S |
|---|---|
| Molecular Weight | 257.00 g/mol |
| LogP | 1.432 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.00256 |
| Heavy Atoms | 16 |
| Complexity | 563.3114 |
Chemical Identifiers
| CAS Number | 339105-69-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CS(=O)(=O)C2=NC=NN2)Cl |
Product Overview
3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole (CAS 339105-69-0), with molecular formula C9H8ClN3O2S and molecular weight 257.00 g/mol. IUPAC: 5-[(4-chlorophenyl)methylsulfonyl]-1H-1,2,4-triazole.
Chemical Property Profile of 3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole
Property Insights of 3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole
The XLogP value of 1.432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole has 1 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 3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole?
The CAS number of 3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole is 339105-69-0.
What is the molecular formula of 3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole?
The molecular formula of 3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole is C9H8ClN3O2S.
What is the molecular weight of 3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole?
The molecular weight of 3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole is 257.00 g/mol.
Where can I buy 3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole?
You can request a quote for 3-[(4-chlorobenzyl)sulfonyl]-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-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-chlorobenzyl)sulfonyl]-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.