![(4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine structure](/static/products/3152/315214-31-4.webp)
(4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine
TL;DR: (4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine (CAS 315214-31-4) is a chemical compound with molecular formula C11H10ClN5O2 and molecular weight 279.05 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-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
Also Known As: BAS 01809146, BIM-0005850.P001, (4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine, (E)-1-(4-chloro-3-nitrophenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine, 4-({4-chloro-3-nitrobenzylidene}amino)-3,5-dimethyl-4H-1,2,4-triazole
| Molecular Formula | C11H10ClN5O2 |
|---|---|
| Molecular Weight | 279.05 g/mol |
| LogP | 2.33874 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.0523 |
| Heavy Atoms | 19 |
| Complexity | 645.6003 |
Chemical Identifiers
| CAS Number | 315214-31-4 |
|---|---|
| SMILES | CC1=NN=C(N1/N=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C |
Product Overview
(4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine (CAS 315214-31-4), with molecular formula C11H10ClN5O2 and molecular weight 279.05 g/mol. IUPAC: (E)-1-(4-chloro-3-nitrophenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of (4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine
Property Insights of (4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine
The XLogP value of 2.33874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine. Following Lipinski's Rule of Five, (4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine 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-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine?
The CAS number of (4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine is 315214-31-4.
What is the molecular formula of (4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine?
The molecular formula of (4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine is C11H10ClN5O2.
What is the molecular weight of (4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine?
The molecular weight of (4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine is 279.05 g/mol.
Where can I buy (4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine?
You can request a quote for (4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine?
Yes, KEHONG BIO provides custom synthesis services for (4-Chloro-3-nitro-benzylidene)-(3,5-dimethyl-[1,2,4]triazol-4-yl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.