4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 578701-28-7) is a chemical compound with molecular formula C15H9ClF2N4S and molecular weight 350.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((2-CL-6-FLUOROBENZYLIDENE)AMINO)-5-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL, (E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol, 4-((2-Chloro-6-fluorobenzylidene)amino)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione, 4-[(1E)-2-(6-chloro-2-fluorophenyl)-1-azavinyl]-5-(4-fluorophenyl)-1,2,4-triaz ole-3-thiol, 4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H9ClF2N4S |
|---|---|
| Molecular Weight | 350.02 g/mol |
| LogP | 4.42149 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.02045 |
| Heavy Atoms | 23 |
| Complexity | 911.1451 |
Chemical Identifiers
| CAS Number | 578701-28-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F)F |
Product Overview
4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 578701-28-7), with molecular formula C15H9ClF2N4S and molecular weight 350.02 g/mol. IUPAC: 4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.42149 indicates that 4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.97 Ų, 4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol 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 4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 578701-28-7.
What is the molecular formula of 4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is C15H9ClF2N4S.
What is the molecular weight of 4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 350.02 g/mol.
Where can I buy 4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.