2-Benzoyl-3-nitrobenzoic acid
TL;DR: 2-Benzoyl-3-nitrobenzoic acid (CAS 7399-32-8) is a chemical compound with molecular formula C14H9NO5 and molecular weight 271.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-3-nitrobenzoic acid
Also Known As: 2-benzoyl-3-nitrobenzoic acid, nitro 2-benzoylbenzoic acid, Benzoic acid,2-benzoyl-3-nitro-, RefChem:256455
| Molecular Formula | C14H9NO5 |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.04807 |
| Heavy Atoms | 20 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 7399-32-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O |
| InChIKey | VQCAQTNPROLAJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoyl-3-nitrobenzoic acid (CAS 7399-32-8), with molecular formula C14H9NO5 and molecular weight 271.05 g/mol. IUPAC: 2-benzoyl-3-nitrobenzoic acid.
Chemical Property Profile of 2-Benzoyl-3-nitrobenzoic acid
Property Insights of 2-Benzoyl-3-nitrobenzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoyl-3-nitrobenzoic acid. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzoyl-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-Benzoyl-3-nitrobenzoic acid 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 2-Benzoyl-3-nitrobenzoic acid?
The CAS number of 2-Benzoyl-3-nitrobenzoic acid is 7399-32-8.
What is the molecular formula of 2-Benzoyl-3-nitrobenzoic acid?
The molecular formula of 2-Benzoyl-3-nitrobenzoic acid is C14H9NO5.
What is the molecular weight of 2-Benzoyl-3-nitrobenzoic acid?
The molecular weight of 2-Benzoyl-3-nitrobenzoic acid is 271.05 g/mol.
Where can I buy 2-Benzoyl-3-nitrobenzoic acid?
You can request a quote for 2-Benzoyl-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoyl-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoyl-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.