2,4,6-Trimethylbenzoic acid
TL;DR: 2,4,6-Trimethylbenzoic acid (CAS 480-63-7) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trimethylbenzoic acid
Also Known As: 2,4,6-TRIMETHYLBENZOIC ACID, Mesitoic acid, Mesitylenecarboxylic acid, beta-Isodurylic acid, Benzoic acid, 2,4,6-trimethyl-
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 480-63-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)O)C |
| InChIKey | FFFIRKXTFQCCKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Trimethylbenzoic acid (CAS 480-63-7), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 2,4,6-trimethylbenzoic acid.
Chemical Property Profile of 2,4,6-Trimethylbenzoic acid
Property Insights of 2,4,6-Trimethylbenzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,4,6-Trimethylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trimethylbenzoic acid has 1 hydrogen bond donor(s) and 2 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 2,4,6-Trimethylbenzoic acid?
The CAS number of 2,4,6-Trimethylbenzoic acid is 480-63-7.
What is the molecular formula of 2,4,6-Trimethylbenzoic acid?
The molecular formula of 2,4,6-Trimethylbenzoic acid is C10H12O2.
What is the molecular weight of 2,4,6-Trimethylbenzoic acid?
The molecular weight of 2,4,6-Trimethylbenzoic acid is 164.08 g/mol.
Where can I buy 2,4,6-Trimethylbenzoic acid?
You can request a quote for 2,4,6-Trimethylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trimethylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trimethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.