![5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole structure](/static/products/384/384359-81-3.png)
5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole
TL;DR: 5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole (CAS 384359-81-3) is a chemical compound with molecular formula C15H12ClN3S and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole
Also Known As: 3-[(4-chlorobenzyl)thio]-5-phenyl-4H-1,2,4-triazole, 3-[(4-chlorophenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole, 5-((4-chlorobenzyl)thio)-3-phenyl-1H-1,2,4-triazole, 5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole
| Molecular Formula | C15H12ClN3S |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 4.4174 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.04404 |
| Heavy Atoms | 20 |
| Complexity | 679.8531 |
Chemical Identifiers
| CAS Number | 384359-81-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)Cl |
Product Overview
5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole (CAS 384359-81-3), with molecular formula C15H12ClN3S and molecular weight 301.04 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole.
Chemical Property Profile of 5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole
Property Insights of 5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole
The XLogP value of 4.4174 indicates that 5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, 5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 3 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 5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole?
The CAS number of 5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole is 384359-81-3.
What is the molecular formula of 5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole?
The molecular formula of 5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole is C15H12ClN3S.
What is the molecular weight of 5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole?
The molecular weight of 5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole is 301.04 g/mol.
Where can I buy 5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole?
You can request a quote for 5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-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 5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-chlorobenzyl)sulfanyl]-3-phenyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.