3-Benzoyl-2-methylbenzoic acid
TL;DR: 3-Benzoyl-2-methylbenzoic acid (CAS 329222-89-1) is a chemical compound with molecular formula C15H12O3 and molecular weight 240.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzoyl-2-methylbenzoic acid
Also Known As: TimTec1_000624, 3-benzoyl-2-methylbenzoic acid, 2-methyl-3-(phenylcarbonyl)benzoic acid
| Molecular Formula | C15H12O3 |
|---|---|
| Molecular Weight | 240.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.07864 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 329222-89-1 |
|---|---|
| SMILES | CC1=C(C=CC=C1C(=O)O)C(=O)C2=CC=CC=C2 |
| InChIKey | YINTZOGUWXBHFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzoyl-2-methylbenzoic acid (CAS 329222-89-1), with molecular formula C15H12O3 and molecular weight 240.08 g/mol. IUPAC: 3-benzoyl-2-methylbenzoic acid.
Chemical Property Profile of 3-Benzoyl-2-methylbenzoic acid
Property Insights of 3-Benzoyl-2-methylbenzoic acid
The XLogP value of 3.2 indicates that 3-Benzoyl-2-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Benzoyl-2-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzoyl-2-methylbenzoic acid has 1 hydrogen bond donor(s) and 3 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 3-Benzoyl-2-methylbenzoic acid?
The CAS number of 3-Benzoyl-2-methylbenzoic acid is 329222-89-1.
What is the molecular formula of 3-Benzoyl-2-methylbenzoic acid?
The molecular formula of 3-Benzoyl-2-methylbenzoic acid is C15H12O3.
What is the molecular weight of 3-Benzoyl-2-methylbenzoic acid?
The molecular weight of 3-Benzoyl-2-methylbenzoic acid is 240.08 g/mol.
Where can I buy 3-Benzoyl-2-methylbenzoic acid?
You can request a quote for 3-Benzoyl-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoyl-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.