![4-[(2,4-Dinitrophenyl)amino]benzonitrile structure](/static/products/303/303214-41-7.png)
4-[(2,4-Dinitrophenyl)amino]benzonitrile
TL;DR: 4-[(2,4-Dinitrophenyl)amino]benzonitrile (CAS 303214-41-7) is a chemical compound with molecular formula C13H8N4O4 and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dinitroanilino)benzonitrile
Also Known As: 4-(2,4-dinitroanilino)benzonitrile, 4-[(2,4-dinitrophenyl)amino]benzonitrile, 4-[(2,4-dinitrophenyl)amino]benzenecarbonitrile
| Molecular Formula | C13H8N4O4 |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 3.11828 |
| Topological Polar Surface Area | 122.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.05457 |
| Heavy Atoms | 21 |
| Complexity | 749.75684 |
Chemical Identifiers
| CAS Number | 303214-41-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-[(2,4-Dinitrophenyl)amino]benzonitrile (CAS 303214-41-7), with molecular formula C13H8N4O4 and molecular weight 284.05 g/mol. IUPAC: 4-(2,4-dinitroanilino)benzonitrile.
Chemical Property Profile of 4-[(2,4-Dinitrophenyl)amino]benzonitrile
Property Insights of 4-[(2,4-Dinitrophenyl)amino]benzonitrile
The XLogP value of 3.11828 indicates that 4-[(2,4-Dinitrophenyl)amino]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2,4-Dinitrophenyl)amino]benzonitrile. Following Lipinski's Rule of Five, 4-[(2,4-Dinitrophenyl)amino]benzonitrile has 1 hydrogen bond donor(s) and 6 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-[(2,4-Dinitrophenyl)amino]benzonitrile?
The CAS number of 4-[(2,4-Dinitrophenyl)amino]benzonitrile is 303214-41-7.
What is the molecular formula of 4-[(2,4-Dinitrophenyl)amino]benzonitrile?
The molecular formula of 4-[(2,4-Dinitrophenyl)amino]benzonitrile is C13H8N4O4.
What is the molecular weight of 4-[(2,4-Dinitrophenyl)amino]benzonitrile?
The molecular weight of 4-[(2,4-Dinitrophenyl)amino]benzonitrile is 284.05 g/mol.
Where can I buy 4-[(2,4-Dinitrophenyl)amino]benzonitrile?
You can request a quote for 4-[(2,4-Dinitrophenyl)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-[(2,4-Dinitrophenyl)amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,4-Dinitrophenyl)amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.