![4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol structure](/static/products/850/850765-41-2.png)
4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol
TL;DR: 4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol (CAS 850765-41-2) is a chemical compound with molecular formula C13H10ClN7O2S and molecular weight 363.03 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-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol, (E)-4-((2-chloro-5-nitrobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(2-chloro-5-nitrophenyl)-1-azavinyl]-5-(3-methylpyrazol-5-yl)-1,2,4- triazole-3-thiol, 4-[(2-chloranyl-5-nitro-phenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione, 4-[(2-chloro-5-nitro-benzylidene)amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H10ClN7O2S |
|---|---|
| Molecular Weight | 363.03 g/mol |
| LogP | 3.08301 |
| Topological Polar Surface Area | 117.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.03052 |
| Heavy Atoms | 24 |
| Complexity | 1003.91656 |
Chemical Identifiers
| CAS Number | 850765-41-2 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NNC(=S)N2/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol (CAS 850765-41-2), with molecular formula C13H10ClN7O2S and molecular weight 363.03 g/mol. IUPAC: 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol
Property Insights of 4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol
The XLogP value of 3.08301 indicates that 4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol. Following Lipinski's Rule of Five, 4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol has 2 hydrogen bond donor(s) and 6 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-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol?
The CAS number of 4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol is 850765-41-2.
What is the molecular formula of 4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol is C13H10ClN7O2S.
What is the molecular weight of 4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol is 363.03 g/mol.
Where can I buy 4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-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-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-{[1-(2-Chloro-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.