3-Methoxysalicylic acid
TL;DR: 3-Methoxysalicylic acid (CAS 877-22-5) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-methoxybenzoic acid
Also Known As: 3-Methoxysalicylic acid, 2-Hydroxy-3-methoxybenzoic acid, o-Vanillic acid, Acide orthovanillique, m-Anisic acid, 2-hydroxy-
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 877-22-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1O)C(=O)O |
| InChIKey | AUZQQIPZESHNMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxysalicylic acid (CAS 877-22-5), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 2-hydroxy-3-methoxybenzoic acid.
Chemical Property Profile of 3-Methoxysalicylic acid
Property Insights of 3-Methoxysalicylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxysalicylic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxysalicylic acid. Following Lipinski's Rule of Five, 3-Methoxysalicylic acid has 2 hydrogen bond donor(s) and 4 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-Methoxysalicylic acid?
The CAS number of 3-Methoxysalicylic acid is 877-22-5.
What is the molecular formula of 3-Methoxysalicylic acid?
The molecular formula of 3-Methoxysalicylic acid is C8H8O4.
What is the molecular weight of 3-Methoxysalicylic acid?
The molecular weight of 3-Methoxysalicylic acid is 168.04 g/mol.
Where can I buy 3-Methoxysalicylic acid?
You can request a quote for 3-Methoxysalicylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxysalicylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxysalicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.