3-O-Methylgallic acid
TL;DR: 3-O-Methylgallic acid (CAS 3934-84-7) is a chemical compound with molecular formula C8H8O5 and molecular weight 184.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydroxy-5-methoxybenzoic acid
Also Known As: 3-O-Methylgallic acid, 3,4-dihydroxy-5-methoxybenzoic acid, 3,4-Dihydroxy-5-methoxy-benzoic acid, 5-hydroxyvanillic acid, 3-O-Methylgallate
| Molecular Formula | C8H8O5 |
|---|---|
| Molecular Weight | 184.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.03717 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 3934-84-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)O)C(=O)O |
| InChIKey | KWCCUYSXAYTNKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-O-Methylgallic acid (CAS 3934-84-7), with molecular formula C8H8O5 and molecular weight 184.04 g/mol. IUPAC: 3,4-dihydroxy-5-methoxybenzoic acid.
Chemical Property Profile of 3-O-Methylgallic acid
Property Insights of 3-O-Methylgallic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-O-Methylgallic acid. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-Methylgallic acid. Following Lipinski's Rule of Five, 3-O-Methylgallic acid has 3 hydrogen bond donor(s) and 5 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-O-Methylgallic acid?
The CAS number of 3-O-Methylgallic acid is 3934-84-7.
What is the molecular formula of 3-O-Methylgallic acid?
The molecular formula of 3-O-Methylgallic acid is C8H8O5.
What is the molecular weight of 3-O-Methylgallic acid?
The molecular weight of 3-O-Methylgallic acid is 184.04 g/mol.
Where can I buy 3-O-Methylgallic acid?
You can request a quote for 3-O-Methylgallic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Methylgallic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Methylgallic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.