3-Methyl-beta-resorcylic acid
TL;DR: 3-Methyl-beta-resorcylic acid (CAS 4707-49-7) 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.
2,4-dihydroxy-3-methylbenzoic acid
Also Known As: 2,4-Dihydroxy-3-methylbenzoic acid, 3-Methyl-beta-resorcylic acid, Benzoic acid, 2,4-dihydroxy-3-methyl-, beta-Resorcylic acid, 3-methyl-, 2,4-DIHYDROXY-M-TOLUATE
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 4707-49-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1O)C(=O)O)O |
| InChIKey | KZCSDJKWEYGAIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-beta-resorcylic acid (CAS 4707-49-7), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 2,4-dihydroxy-3-methylbenzoic acid.
Chemical Property Profile of 3-Methyl-beta-resorcylic acid
Property Insights of 3-Methyl-beta-resorcylic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-beta-resorcylic acid. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-beta-resorcylic acid. Following Lipinski's Rule of Five, 3-Methyl-beta-resorcylic acid has 3 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-Methyl-beta-resorcylic acid?
The CAS number of 3-Methyl-beta-resorcylic acid is 4707-49-7.
What is the molecular formula of 3-Methyl-beta-resorcylic acid?
The molecular formula of 3-Methyl-beta-resorcylic acid is C8H8O4.
What is the molecular weight of 3-Methyl-beta-resorcylic acid?
The molecular weight of 3-Methyl-beta-resorcylic acid is 168.04 g/mol.
Where can I buy 3-Methyl-beta-resorcylic acid?
You can request a quote for 3-Methyl-beta-resorcylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-beta-resorcylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-beta-resorcylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.