![2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile structure](/static/products/5316/5316-28-9.webp)
2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile
TL;DR: 2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile (CAS 5316-28-9) is a chemical compound with molecular formula C14H8ClN3O2 and molecular weight 285.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrile
Also Known As: 2-[ methylideneamino]benzonitrile, 2-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrile, 2-({2-chloro-5-nitrobenzylidene}amino)benzonitrile, 2-[(2-chloro-5-nitrobenzylidene)amino]benzonitrile, 2-[(1E)-2-(2-chloro-5-nitrophenyl)-1-azavinyl]benzenecarbonitrile
| Molecular Formula | C14H8ClN3O2 |
|---|---|
| Molecular Weight | 285.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.03052 |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 5316-28-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)N=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl |
| InChIKey | JPRNTWAQXARPTL-UHFFFAOYSA-N |
Product Overview
2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile (CAS 5316-28-9), with molecular formula C14H8ClN3O2 and molecular weight 285.03 g/mol. IUPAC: 2-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrile.
Chemical Property Profile of 2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile
Property Insights of 2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile
The XLogP value of 3.4 indicates that 2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile. Following Lipinski's Rule of Five, 2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile has 0 hydrogen bond donor(s) and 4 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 2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile?
The CAS number of 2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile is 5316-28-9.
What is the molecular formula of 2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile?
The molecular formula of 2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile is C14H8ClN3O2.
What is the molecular weight of 2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile?
The molecular weight of 2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile is 285.03 g/mol.
Where can I buy 2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile?
You can request a quote for 2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Chloro-5-nitrophenyl)methylideneamino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.