![4-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile structure](/static/products/870/870100-16-6.png)
4-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile
TL;DR: 4-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile (CAS 870100-16-6) is a chemical compound with molecular formula C14H9N3O2 and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-nitrophenyl)methylideneamino]benzonitrile
Also Known As: 4-[(4-nitrobenzylidene)amino]benzonitrile, 4-[(4-nitrophenyl)methylideneamino]benzonitrile, 4-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile, 4-{(Z)-[(4-Nitrophenyl)methylidene]amino}benzonitrile
| Molecular Formula | C14H9N3O2 |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 3.21708 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.06947 |
| Heavy Atoms | 19 |
| Complexity | 652.5856 |
Chemical Identifiers
| CAS Number | 870100-16-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NC2=CC=C(C=C2)C#N)[N+](=O)[O-] |
Product Overview
4-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile (CAS 870100-16-6), with molecular formula C14H9N3O2 and molecular weight 251.07 g/mol. IUPAC: 4-[(4-nitrophenyl)methylideneamino]benzonitrile.
Chemical Property Profile of 4-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile
Property Insights of 4-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile
The XLogP value of 3.21708 indicates that 4-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile. Following Lipinski's Rule of Five, 4-[(Z)-[(4-Nitrophenyl)methylene]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-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile?
The CAS number of 4-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile is 870100-16-6.
What is the molecular formula of 4-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile?
The molecular formula of 4-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile is C14H9N3O2.
What is the molecular weight of 4-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile?
The molecular weight of 4-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile is 251.07 g/mol.
Where can I buy 4-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile?
You can request a quote for 4-[(Z)-[(4-Nitrophenyl)methylene]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-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Z)-[(4-Nitrophenyl)methylene]amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.