6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid
TL;DR: 6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid (CAS 5457-32-9) is a chemical compound with molecular formula C14H8N2O8 and molecular weight 332.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-carboxy-6-nitrophenyl)-3-nitrobenzoic acid
Also Known As: 6,6'-Dinitrodiphenic acid, Dinitrobiphenic acid, 6,6'-Dinitro-diphensaure, Diphenic acid, 6,6'-dinitro-, 6,6'-Dinitrobiphenyl-2,2'-dicarboxylic acid
| Molecular Formula | C14H8N2O8 |
|---|---|
| Molecular Weight | 332.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.02808 |
| Heavy Atoms | 24 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 5457-32-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C(=O)O |
| InChIKey | HSXZZWGNLDGWIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid (CAS 5457-32-9), with molecular formula C14H8N2O8 and molecular weight 332.03 g/mol. IUPAC: 2-(2-carboxy-6-nitrophenyl)-3-nitrobenzoic acid.
Chemical Property Profile of 6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid
Property Insights of 6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid. The TPSA of 166.0 Ų indicates high polarity, suggesting 6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid has 2 hydrogen bond donor(s) and 8 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 6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid?
The CAS number of 6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid is 5457-32-9.
What is the molecular formula of 6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid?
The molecular formula of 6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid is C14H8N2O8.
What is the molecular weight of 6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid?
The molecular weight of 6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid is 332.03 g/mol.
Where can I buy 6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid?
You can request a quote for 6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6,6'-Dinitro(1,1'-biphenyl)-2,2'-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.