4,4'-Dinitro(1,1'-biphenyl)-2-amine
TL;DR: 4,4'-Dinitro(1,1'-biphenyl)-2-amine (CAS 51787-75-8) is a chemical compound with molecular formula C12H9N3O4 and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-(4-nitrophenyl)aniline
Also Known As: 4,4'-Dinitro-2-biphenylamine, dn-biphenylamine, 4,4'-Dinitro-[1,1'-biphenyl]-2-amine, 5-nitro-2-(4-nitrophenyl)aniline, 4,4'-Dinitro-1,1'-biphenyl-2-amine
| Molecular Formula | C12H9N3O4 |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.0593 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 51787-75-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C=C(C=C2)[N+](=O)[O-])N)[N+](=O)[O-] |
| InChIKey | FRZPYFUNNLIMEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Dinitro(1,1'-biphenyl)-2-amine (CAS 51787-75-8), with molecular formula C12H9N3O4 and molecular weight 259.06 g/mol. IUPAC: 5-nitro-2-(4-nitrophenyl)aniline.
Chemical Property Profile of 4,4'-Dinitro(1,1'-biphenyl)-2-amine
Property Insights of 4,4'-Dinitro(1,1'-biphenyl)-2-amine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Dinitro(1,1'-biphenyl)-2-amine. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Dinitro(1,1'-biphenyl)-2-amine. Following Lipinski's Rule of Five, 4,4'-Dinitro(1,1'-biphenyl)-2-amine has 1 hydrogen bond donor(s) and 5 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 4,4'-Dinitro(1,1'-biphenyl)-2-amine?
The CAS number of 4,4'-Dinitro(1,1'-biphenyl)-2-amine is 51787-75-8.
What is the molecular formula of 4,4'-Dinitro(1,1'-biphenyl)-2-amine?
The molecular formula of 4,4'-Dinitro(1,1'-biphenyl)-2-amine is C12H9N3O4.
What is the molecular weight of 4,4'-Dinitro(1,1'-biphenyl)-2-amine?
The molecular weight of 4,4'-Dinitro(1,1'-biphenyl)-2-amine is 259.06 g/mol.
Where can I buy 4,4'-Dinitro(1,1'-biphenyl)-2-amine?
You can request a quote for 4,4'-Dinitro(1,1'-biphenyl)-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Dinitro(1,1'-biphenyl)-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Dinitro(1,1'-biphenyl)-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.