3,5-Dimethylbenzoic acid
TL;DR: 3,5-Dimethylbenzoic acid (CAS 499-06-9) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethylbenzoic acid
Also Known As: 3,5-DIMETHYLBENZOIC ACID, Mesitylenic acid, Benzoic acid, 3,5-dimethyl-, 3,5-Dimethylbezoic acid, 3,5-Dimethylbenzoicacid
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 499-06-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)O)C |
| InChIKey | UMVOQQDNEYOJOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethylbenzoic acid (CAS 499-06-9), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: 3,5-dimethylbenzoic acid.
Chemical Property Profile of 3,5-Dimethylbenzoic acid
Property Insights of 3,5-Dimethylbenzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3,5-Dimethylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylbenzoic 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 3,5-Dimethylbenzoic acid?
The CAS number of 3,5-Dimethylbenzoic acid is 499-06-9.
What is the molecular formula of 3,5-Dimethylbenzoic acid?
The molecular formula of 3,5-Dimethylbenzoic acid is C9H10O2.
What is the molecular weight of 3,5-Dimethylbenzoic acid?
The molecular weight of 3,5-Dimethylbenzoic acid is 150.07 g/mol.
Where can I buy 3,5-Dimethylbenzoic acid?
You can request a quote for 3,5-Dimethylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.