4-Cyano-4'-nitrodiphenyl
TL;DR: 4-Cyano-4'-nitrodiphenyl (CAS 31835-63-9) is a chemical compound with molecular formula C13H8N2O2 and molecular weight 224.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitrophenyl)benzonitrile
Also Known As: 4-Cyano-4'-nitrodiphenyl, 4-(4-nitrophenyl)benzonitrile, 4'-nitro-[1,1'-biphenyl]-4-carbonitrile, 4-Cyano-4'-nitrobiphenyl, p-NCC6H4C6H4NO2
| Molecular Formula | C13H8N2O2 |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 3.13348 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.05858 |
| Heavy Atoms | 17 |
| Complexity | 580.3117 |
Chemical Identifiers
| CAS Number | 31835-63-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-Cyano-4'-nitrodiphenyl (CAS 31835-63-9), with molecular formula C13H8N2O2 and molecular weight 224.06 g/mol. IUPAC: 4-(4-nitrophenyl)benzonitrile.
Chemical Property Profile of 4-Cyano-4'-nitrodiphenyl
Property Insights of 4-Cyano-4'-nitrodiphenyl
The XLogP value of 3.13348 indicates that 4-Cyano-4'-nitrodiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyano-4'-nitrodiphenyl. Following Lipinski's Rule of Five, 4-Cyano-4'-nitrodiphenyl has 0 hydrogen bond donor(s) and 3 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-Cyano-4'-nitrodiphenyl?
The CAS number of 4-Cyano-4'-nitrodiphenyl is 31835-63-9.
What is the molecular formula of 4-Cyano-4'-nitrodiphenyl?
The molecular formula of 4-Cyano-4'-nitrodiphenyl is C13H8N2O2.
What is the molecular weight of 4-Cyano-4'-nitrodiphenyl?
The molecular weight of 4-Cyano-4'-nitrodiphenyl is 224.06 g/mol.
Where can I buy 4-Cyano-4'-nitrodiphenyl?
You can request a quote for 4-Cyano-4'-nitrodiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-4'-nitrodiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-4'-nitrodiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.