Methyl 2,4,6-trihydroxybenzoate
TL;DR: Methyl 2,4,6-trihydroxybenzoate (CAS 3147-39-5) 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.
methyl 2,4,6-trihydroxybenzoate
Also Known As: Methyl 2,4,6-trihydroxybenzoate, METHYL GALLATE, Benzoic acid, 2,4,6-trihydroxy-, methyl ester, 2,4,6-Trihydroxybenzoic acid methyl ester, Methyl2,4,6-trihydroxybenzoate
| Molecular Formula | C8H8O5 |
|---|---|
| Molecular Weight | 184.04 g/mol |
| LogP | 1.3 |
| 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 | 181.0 |
| Melting Point | 174 - 176 °C |
Chemical Identifiers
| CAS Number | 3147-39-5 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1O)O)O |
| InChIKey | AQDIJIAUYXOCGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,4,6-trihydroxybenzoate (CAS 3147-39-5), with molecular formula C8H8O5 and molecular weight 184.04 g/mol. IUPAC: methyl 2,4,6-trihydroxybenzoate.
Chemical Property Profile of Methyl 2,4,6-trihydroxybenzoate
Property Insights of Methyl 2,4,6-trihydroxybenzoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,4,6-trihydroxybenzoate. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,4,6-trihydroxybenzoate. Following Lipinski's Rule of Five, Methyl 2,4,6-trihydroxybenzoate 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 Methyl 2,4,6-trihydroxybenzoate?
The CAS number of Methyl 2,4,6-trihydroxybenzoate is 3147-39-5.
What is the molecular formula of Methyl 2,4,6-trihydroxybenzoate?
The molecular formula of Methyl 2,4,6-trihydroxybenzoate is C8H8O5.
What is the molecular weight of Methyl 2,4,6-trihydroxybenzoate?
The molecular weight of Methyl 2,4,6-trihydroxybenzoate is 184.04 g/mol.
Where can I buy Methyl 2,4,6-trihydroxybenzoate?
You can request a quote for Methyl 2,4,6-trihydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,4,6-trihydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,4,6-trihydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.