5,5'-dinitrodiphenic acid
TL;DR: 5,5'-dinitrodiphenic acid (CAS 92159-34-7) 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-5-nitrophenyl)-4-nitrobenzoic acid
Also Known As: 5,5'-dinitrodiphenic acid, NCIOpen2_009585, Ethacridine Lactate Impurity 20, 2-(2-carboxy-5-nitrophenyl)-4-nitrobenzoic acid, 5,5'-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 | 92159-34-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)C(=O)O |
| InChIKey | FLZMKJSAEULZSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5'-dinitrodiphenic acid (CAS 92159-34-7), with molecular formula C14H8N2O8 and molecular weight 332.03 g/mol. IUPAC: 2-(2-carboxy-5-nitrophenyl)-4-nitrobenzoic acid.
Chemical Property Profile of 5,5'-dinitrodiphenic acid
Property Insights of 5,5'-dinitrodiphenic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5'-dinitrodiphenic acid. The TPSA of 166.0 Ų indicates high polarity, suggesting 5,5'-dinitrodiphenic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,5'-dinitrodiphenic 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 5,5'-dinitrodiphenic acid?
The CAS number of 5,5'-dinitrodiphenic acid is 92159-34-7.
What is the molecular formula of 5,5'-dinitrodiphenic acid?
The molecular formula of 5,5'-dinitrodiphenic acid is C14H8N2O8.
What is the molecular weight of 5,5'-dinitrodiphenic acid?
The molecular weight of 5,5'-dinitrodiphenic acid is 332.03 g/mol.
Where can I buy 5,5'-dinitrodiphenic acid?
You can request a quote for 5,5'-dinitrodiphenic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5'-dinitrodiphenic acid?
Yes, KEHONG BIO provides custom synthesis services for 5,5'-dinitrodiphenic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.