![4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile structure](/static/products/303/303759-14-0.png)
4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile
TL;DR: 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile (CAS 303759-14-0) 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.
4-[(4-chloro-3-nitrophenyl)methylideneamino]benzonitrile
Also Known As: 4-[(4-chloro-3-nitrobenzylidene)amino]benzonitrile, 4-[(4-chloro-3-nitrophenyl)methylideneamino]benzonitrile, 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile, 4-{[(E)-1-(4-CHLORO-3-NITROPHENYL)METHYLIDENE]AMINO}BENZONITRILE
| Molecular Formula | C14H8ClN3O2 |
|---|---|
| Molecular Weight | 285.03 g/mol |
| LogP | 3.3 |
| 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 | 418.0 |
Chemical Identifiers
| CAS Number | 303759-14-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)N=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | ZGWRVLCCQRAGQE-UHFFFAOYSA-N |
Product Overview
4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile (CAS 303759-14-0), with molecular formula C14H8ClN3O2 and molecular weight 285.03 g/mol. IUPAC: 4-[(4-chloro-3-nitrophenyl)methylideneamino]benzonitrile.
Chemical Property Profile of 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile
Property Insights of 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile
The XLogP value of 3.3 indicates that 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}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 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile. Following Lipinski's Rule of Five, 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}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 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile?
The CAS number of 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile is 303759-14-0.
What is the molecular formula of 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile?
The molecular formula of 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile is C14H8ClN3O2.
What is the molecular weight of 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile?
The molecular weight of 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile is 285.03 g/mol.
Where can I buy 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile?
You can request a quote for 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.