Benzoic acid, 6-benzoyl-3-methyl-
TL;DR: Benzoic acid, 6-benzoyl-3-methyl- (CAS 1147-41-7) 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.
2-benzoyl-5-methylbenzoic acid
Also Known As: 6-Benzoyl-m-toluic acid, 2-benzoyl-5-methylbenzoic acid, 6-Benzoyl-m-toluicacid, m-Toluic acid, 6-benzoyl-, m-Toluic acid,6-benzoyl
| Molecular Formula | C15H12O3 |
|---|---|
| Molecular Weight | 240.08 g/mol |
| LogP | 3.9 |
| 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 | 1147-41-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O |
| InChIKey | KNMXCIDAUYVUCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 6-benzoyl-3-methyl- (CAS 1147-41-7), with molecular formula C15H12O3 and molecular weight 240.08 g/mol. IUPAC: 2-benzoyl-5-methylbenzoic acid.
Chemical Property Profile of Benzoic acid, 6-benzoyl-3-methyl-
Property Insights of Benzoic acid, 6-benzoyl-3-methyl-
The XLogP value of 3.9 indicates that Benzoic acid, 6-benzoyl-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Benzoic acid, 6-benzoyl-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 6-benzoyl-3-methyl- 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 Benzoic acid, 6-benzoyl-3-methyl-?
The CAS number of Benzoic acid, 6-benzoyl-3-methyl- is 1147-41-7.
What is the molecular formula of Benzoic acid, 6-benzoyl-3-methyl-?
The molecular formula of Benzoic acid, 6-benzoyl-3-methyl- is C15H12O3.
What is the molecular weight of Benzoic acid, 6-benzoyl-3-methyl-?
The molecular weight of Benzoic acid, 6-benzoyl-3-methyl- is 240.08 g/mol.
Where can I buy Benzoic acid, 6-benzoyl-3-methyl-?
You can request a quote for Benzoic acid, 6-benzoyl-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 6-benzoyl-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 6-benzoyl-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.