![3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole structure](/static/products/4600/460044-51-3.webp)
3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole
TL;DR: 3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole (CAS 460044-51-3) is a chemical compound with molecular formula C17H16ClN3S and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-phenyl-1,2,4-triazole
Also Known As: BAS 02325458, 3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole, 3-[(4-chlorobenzyl)sulfanyl]-4-ethyl-5-phenyl-4H-1,2,4-triazole, 3-((4-chlorobenzyl)thio)-4-ethyl-5-phenyl-4H-1,2,4-triazole, 3-[(4-chlorophenyl)methylthio]-4-ethyl-5-phenyl-1,2,4-triazole
| Molecular Formula | C17H16ClN3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 4.9107 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.07535 |
| Heavy Atoms | 22 |
| Complexity | 738.3554 |
Chemical Identifiers
| CAS Number | 460044-51-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
Product Overview
3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole (CAS 460044-51-3), with molecular formula C17H16ClN3S and molecular weight 329.08 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole
Property Insights of 3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole
The XLogP value of 4.9107 indicates that 3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[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 30.71 Ų, 3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole has 0 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 3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole?
The CAS number of 3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole is 460044-51-3.
What is the molecular formula of 3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole?
The molecular formula of 3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole is C17H16ClN3S.
What is the molecular weight of 3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole?
The molecular weight of 3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole is 329.08 g/mol.
Where can I buy 3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole?
You can request a quote for 3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-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-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.