3-Methylsalicylic Acid
TL;DR: 3-Methylsalicylic Acid (CAS 83-40-9) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-methylbenzoic acid
Also Known As: 3-Methylsalicylic acid, Hydroxytoluic acid, 2-Hydroxy-3-methylbenzoic acid, Cresotic acid, o-Cresotinic acid
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
| Vapor Pressure | 0.0000514 [mmHg] |
Chemical Identifiers
| CAS Number | 83-40-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)O)O |
| InChIKey | WHSXTWFYRGOBGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylsalicylic Acid (CAS 83-40-9), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: 2-hydroxy-3-methylbenzoic acid.
Chemical Property Profile of 3-Methylsalicylic Acid
Property Insights of 3-Methylsalicylic Acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylsalicylic Acid. With a topological polar surface area (TPSA) of 57.5 Ų, 3-Methylsalicylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylsalicylic Acid has 2 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-Methylsalicylic Acid?
The CAS number of 3-Methylsalicylic Acid is 83-40-9.
What is the molecular formula of 3-Methylsalicylic Acid?
The molecular formula of 3-Methylsalicylic Acid is C8H8O3.
What is the molecular weight of 3-Methylsalicylic Acid?
The molecular weight of 3-Methylsalicylic Acid is 152.05 g/mol.
Where can I buy 3-Methylsalicylic Acid?
You can request a quote for 3-Methylsalicylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylsalicylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylsalicylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.