4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole
TL;DR: 4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole (CAS 35546-54-4) is a chemical compound with molecular formula C9H6ClN5O2 and molecular weight 251.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-chloro-3-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: 4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole, BAS 00314475, (E)-1-(4-chloro-3-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine, (4-Chloro-3-nitro-benzylidene)-[1,2,4]triazol-4-yl-amine, N-[(E)-(4-chloro-3-nitrophenyl)methylidene]-4H-1,2,4-triazol-4-amine
| Molecular Formula | C9H6ClN5O2 |
|---|---|
| Molecular Weight | 251.02 g/mol |
| LogP | 1.7219 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.021 |
| Heavy Atoms | 17 |
| Complexity | 566.77014 |
Chemical Identifiers
| CAS Number | 35546-54-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=N/N2C=NN=C2)[N+](=O)[O-])Cl |
Product Overview
4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole (CAS 35546-54-4), with molecular formula C9H6ClN5O2 and molecular weight 251.02 g/mol. IUPAC: (E)-1-(4-chloro-3-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of 4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole
Property Insights of 4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole
The XLogP value of 1.7219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole has 0 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-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole?
The CAS number of 4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole is 35546-54-4.
What is the molecular formula of 4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole?
The molecular formula of 4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole is C9H6ClN5O2.
What is the molecular weight of 4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole?
The molecular weight of 4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole is 251.02 g/mol.
Where can I buy 4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole?
You can request a quote for 4-({4-chloro-3-nitrobenzylidene}amino)-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 4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-({4-chloro-3-nitrobenzylidene}amino)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.