4-(4-Nitrobenzoyl)benzoic acid
TL;DR: 4-(4-Nitrobenzoyl)benzoic acid (CAS 7377-13-1) 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.
4-(4-nitrobenzoyl)benzoic acid
Also Known As: 4-(4-Nitrobenzoyl)benzoic acid, 4-(4-Nitro-benzoyl)-benzoic acid, Benzoic acid, 4-(4-nitrobenzoyl)-, 4-(4-Nitrobenzoyl)benzoicacid, Benzoic acid,4-(4-nitrobenzoyl)-
| Molecular Formula | C14H9NO5 |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | 3.2 |
| 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 | 387.0 |
Chemical Identifiers
| CAS Number | 7377-13-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | FGGHZEMNYJKTDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Nitrobenzoyl)benzoic acid (CAS 7377-13-1), with molecular formula C14H9NO5 and molecular weight 271.05 g/mol. IUPAC: 4-(4-nitrobenzoyl)benzoic acid.
Chemical Property Profile of 4-(4-Nitrobenzoyl)benzoic acid
Property Insights of 4-(4-Nitrobenzoyl)benzoic acid
The XLogP value of 3.2 indicates that 4-(4-Nitrobenzoyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Nitrobenzoyl)benzoic acid. Following Lipinski's Rule of Five, 4-(4-Nitrobenzoyl)benzoic 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 4-(4-Nitrobenzoyl)benzoic acid?
The CAS number of 4-(4-Nitrobenzoyl)benzoic acid is 7377-13-1.
What is the molecular formula of 4-(4-Nitrobenzoyl)benzoic acid?
The molecular formula of 4-(4-Nitrobenzoyl)benzoic acid is C14H9NO5.
What is the molecular weight of 4-(4-Nitrobenzoyl)benzoic acid?
The molecular weight of 4-(4-Nitrobenzoyl)benzoic acid is 271.05 g/mol.
Where can I buy 4-(4-Nitrobenzoyl)benzoic acid?
You can request a quote for 4-(4-Nitrobenzoyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Nitrobenzoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Nitrobenzoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.