4-((2-CL-5-Nitrobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((2-CL-5-Nitrobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 577984-61-3) is a chemical compound with molecular formula C15H9ClFN5O2S and molecular weight 377.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((2-Chloro-5-nitrobenzylidene)amino)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione, 4-((2-CL-5-NITROBENZYLIDENE)AMINO)-5-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL, (E)-4-((2-chloro-5-nitrobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(2-chloro-5-nitrophenyl)-1-azavinyl]-5-(4-fluorophenyl)-1,2,4-triazo le-3-thiol, 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H9ClFN5O2S |
|---|---|
| Molecular Weight | 377.01 g/mol |
| LogP | 4.19059 |
| Topological Polar Surface Area | 89.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.01495 |
| Heavy Atoms | 25 |
| Complexity | 1029.1461 |
Chemical Identifiers
| CAS Number | 577984-61-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=S)N2/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl)F |
Product Overview
4-((2-CL-5-Nitrobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 577984-61-3), with molecular formula C15H9ClFN5O2S and molecular weight 377.01 g/mol. IUPAC: 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((2-CL-5-Nitrobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((2-CL-5-Nitrobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.19059 indicates that 4-((2-CL-5-Nitrobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-CL-5-Nitrobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-((2-CL-5-Nitrobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 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-5-Nitrobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((2-CL-5-Nitrobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 577984-61-3.
What is the molecular formula of 4-((2-CL-5-Nitrobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((2-CL-5-Nitrobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is C15H9ClFN5O2S.
What is the molecular weight of 4-((2-CL-5-Nitrobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((2-CL-5-Nitrobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 377.01 g/mol.
Where can I buy 4-((2-CL-5-Nitrobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((2-CL-5-Nitrobenzylidene)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-5-Nitrobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-CL-5-Nitrobenzylidene)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.