3-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole
TL;DR: 3-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole (CAS 849007-77-8) is a chemical compound with molecular formula C18H15ClF3N3S and molecular weight 397.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-4-ethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
Also Known As: 3-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole, 3-(3-chlorophenyl)-4-ethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole, 3-(3-chlorophenyl)-4-ethyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole, 5-(3-chlorophenyl)-4-ethyl-3-{[3-(trifluoromethyl)phenyl]methylthio}-1,2,4-tri azole, 3-(3-chlorophenyl)-4-ethyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
| Molecular Formula | C18H15ClF3N3S |
|---|---|
| Molecular Weight | 397.06 g/mol |
| LogP | 5.9295 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.06274 |
| Heavy Atoms | 26 |
| Complexity | 908.69214 |
Chemical Identifiers
| CAS Number | 849007-77-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)Cl |
Product Overview
3-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole (CAS 849007-77-8), with molecular formula C18H15ClF3N3S and molecular weight 397.06 g/mol. IUPAC: 3-(3-chlorophenyl)-4-ethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 3-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole
Property Insights of 3-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole
The XLogP value of 5.9295 indicates that 3-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-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-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole?
The CAS number of 3-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole is 849007-77-8.
What is the molecular formula of 3-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole?
The molecular formula of 3-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole is C18H15ClF3N3S.
What is the molecular weight of 3-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole?
The molecular weight of 3-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole is 397.06 g/mol.
Where can I buy 3-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole?
You can request a quote for 3-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-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-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-4-ethyl-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.