2-(4-Nitrophenyl)benzoic acid
TL;DR: 2-(4-Nitrophenyl)benzoic acid (CAS 654080-03-2) is a chemical compound with molecular formula C13H9NO4 and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)benzoic acid
Also Known As: 2-(4-nitrophenyl)benzoic acid, 4'-Nitro-[1,1'-biphenyl]-2-carboxylic acid, 4'-nitrobiphenyl-2-carboxylic acid, 4'-Nitro[1,1'-biphenyl]-2-carboxylic acid, NCIOpen2_005407
| Molecular Formula | C13H9NO4 |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.05316 |
| Heavy Atoms | 18 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 654080-03-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | IVKKQTQLZURECG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Nitrophenyl)benzoic acid (CAS 654080-03-2), with molecular formula C13H9NO4 and molecular weight 243.05 g/mol. IUPAC: 2-(4-nitrophenyl)benzoic acid.
Chemical Property Profile of 2-(4-Nitrophenyl)benzoic acid
Property Insights of 2-(4-Nitrophenyl)benzoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrophenyl)benzoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)benzoic acid. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)benzoic acid has 1 hydrogen bond donor(s) and 4 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 2-(4-Nitrophenyl)benzoic acid?
The CAS number of 2-(4-Nitrophenyl)benzoic acid is 654080-03-2.
What is the molecular formula of 2-(4-Nitrophenyl)benzoic acid?
The molecular formula of 2-(4-Nitrophenyl)benzoic acid is C13H9NO4.
What is the molecular weight of 2-(4-Nitrophenyl)benzoic acid?
The molecular weight of 2-(4-Nitrophenyl)benzoic acid is 243.05 g/mol.
Where can I buy 2-(4-Nitrophenyl)benzoic acid?
You can request a quote for 2-(4-Nitrophenyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.