4,6-Dinitrobiphenyl-2-carboxylic acid
TL;DR: 4,6-Dinitrobiphenyl-2-carboxylic acid (CAS 7639-79-4) is a chemical compound with molecular formula C13H8N2O6 and molecular weight 288.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-2-phenylbenzoic acid
Also Known As: 4,6-dinitrobiphenyl-2-carboxylic acid, 3,5-dinitro-2-phenylbenzoic acid, 4,6-Dinitro[1,1'-biphenyl]-2-carboxylic acid, [1,1'-Biphenyl]-2-carboxylicacid, 4,6-dinitro-
| Molecular Formula | C13H8N2O6 |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.03824 |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 7639-79-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
| InChIKey | SQEFLQABIQQJLA-UHFFFAOYSA-N |
Product Overview
4,6-Dinitrobiphenyl-2-carboxylic acid (CAS 7639-79-4), with molecular formula C13H8N2O6 and molecular weight 288.04 g/mol. IUPAC: 3,5-dinitro-2-phenylbenzoic acid.
Chemical Property Profile of 4,6-Dinitrobiphenyl-2-carboxylic acid
Property Insights of 4,6-Dinitrobiphenyl-2-carboxylic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dinitrobiphenyl-2-carboxylic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dinitrobiphenyl-2-carboxylic acid. Following Lipinski's Rule of Five, 4,6-Dinitrobiphenyl-2-carboxylic acid 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 4,6-Dinitrobiphenyl-2-carboxylic acid?
The CAS number of 4,6-Dinitrobiphenyl-2-carboxylic acid is 7639-79-4.
What is the molecular formula of 4,6-Dinitrobiphenyl-2-carboxylic acid?
The molecular formula of 4,6-Dinitrobiphenyl-2-carboxylic acid is C13H8N2O6.
What is the molecular weight of 4,6-Dinitrobiphenyl-2-carboxylic acid?
The molecular weight of 4,6-Dinitrobiphenyl-2-carboxylic acid is 288.04 g/mol.
Where can I buy 4,6-Dinitrobiphenyl-2-carboxylic acid?
You can request a quote for 4,6-Dinitrobiphenyl-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dinitrobiphenyl-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dinitrobiphenyl-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.