![5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine structure](/static/products/6802/680216-97-1.webp)
5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine
TL;DR: 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine (CAS 680216-97-1) is a chemical compound with molecular formula C21H14ClF3N4S and molecular weight 446.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-benzylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-2-chloropyridine
Also Known As: 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine, 5-[5-benzylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-2-chloropyridine, 5-[5-(benzylsulfanyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-2-chloropyridine
| Molecular Formula | C21H14ClF3N4S |
|---|---|
| Molecular Weight | 446.06 g/mol |
| LogP | 6.2938 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.05798 |
| Heavy Atoms | 30 |
| Complexity | 1145.1377 |
Chemical Identifiers
| CAS Number | 680216-97-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)C4=CN=C(C=C4)Cl |
Product Overview
5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine (CAS 680216-97-1), with molecular formula C21H14ClF3N4S and molecular weight 446.06 g/mol. IUPAC: 5-[5-benzylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-2-chloropyridine.
Chemical Property Profile of 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine
Property Insights of 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine
The XLogP value of 6.2938 indicates that 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine?
The CAS number of 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine is 680216-97-1.
What is the molecular formula of 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine?
The molecular formula of 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine is C21H14ClF3N4S.
What is the molecular weight of 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine?
The molecular weight of 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine is 446.06 g/mol.
Where can I buy 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine?
You can request a quote for 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine?
Yes, KEHONG BIO provides custom synthesis services for 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.