2-(4-Methyl-3-nitrobenzoyl)benzoic acid
TL;DR: 2-(4-Methyl-3-nitrobenzoyl)benzoic acid (CAS 15247-71-9) is a chemical compound with molecular formula C15H11NO5 and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-3-nitrobenzoyl)benzoic acid
Also Known As: 2-(4-methyl-3-nitrobenzoyl)benzoic acid, o-(3-Nitro-p-toluyl)benzoic acid, 2-(4-methyl-3-nitro-benzoyl)benzoic acid, 2-[(4-methyl-3-nitrophenyl)carbonyl]benzoic acid, Benzoic acid, 2-(4-methyl-3-nitrobenzoyl)-
| Molecular Formula | C15H11NO5 |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.06372 |
| Heavy Atoms | 21 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 15247-71-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)[N+](=O)[O-] |
| InChIKey | JVUODQSMSGPNQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Methyl-3-nitrobenzoyl)benzoic acid (CAS 15247-71-9), with molecular formula C15H11NO5 and molecular weight 285.06 g/mol. IUPAC: 2-(4-methyl-3-nitrobenzoyl)benzoic acid.
Chemical Property Profile of 2-(4-Methyl-3-nitrobenzoyl)benzoic acid
Property Insights of 2-(4-Methyl-3-nitrobenzoyl)benzoic acid
The XLogP value of 3.0 indicates that 2-(4-Methyl-3-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 2-(4-Methyl-3-nitrobenzoyl)benzoic acid. Following Lipinski's Rule of Five, 2-(4-Methyl-3-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 2-(4-Methyl-3-nitrobenzoyl)benzoic acid?
The CAS number of 2-(4-Methyl-3-nitrobenzoyl)benzoic acid is 15247-71-9.
What is the molecular formula of 2-(4-Methyl-3-nitrobenzoyl)benzoic acid?
The molecular formula of 2-(4-Methyl-3-nitrobenzoyl)benzoic acid is C15H11NO5.
What is the molecular weight of 2-(4-Methyl-3-nitrobenzoyl)benzoic acid?
The molecular weight of 2-(4-Methyl-3-nitrobenzoyl)benzoic acid is 285.06 g/mol.
Where can I buy 2-(4-Methyl-3-nitrobenzoyl)benzoic acid?
You can request a quote for 2-(4-Methyl-3-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 2-(4-Methyl-3-nitrobenzoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methyl-3-nitrobenzoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.