Methyl 3,4,5-trimethoxybenzoate
TL;DR: Methyl 3,4,5-trimethoxybenzoate (CAS 1916-07-0) is a chemical compound with molecular formula C11H14O5 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4,5-trimethoxybenzoate
Also Known As: Methyl 3,4,5-trimethoxybenzoate, Methyl EudesMate, Trimethylgallic acid methyl ester, Methyl tri-O-methylgallate, Methyl syringate
| Molecular Formula | C11H14O5 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.08412 |
| Heavy Atoms | 16 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 1916-07-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC |
| InChIKey | KACHFMOHOPLTNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3,4,5-trimethoxybenzoate (CAS 1916-07-0), with molecular formula C11H14O5 and molecular weight 226.08 g/mol. IUPAC: methyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Methyl 3,4,5-trimethoxybenzoate
Property Insights of Methyl 3,4,5-trimethoxybenzoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4,5-trimethoxybenzoate. With a topological polar surface area (TPSA) of 54.0 Ų, Methyl 3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,4,5-trimethoxybenzoate has 0 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 3,4,5-trimethoxybenzoate?
The CAS number of Methyl 3,4,5-trimethoxybenzoate is 1916-07-0.
What is the molecular formula of Methyl 3,4,5-trimethoxybenzoate?
The molecular formula of Methyl 3,4,5-trimethoxybenzoate is C11H14O5.
What is the molecular weight of Methyl 3,4,5-trimethoxybenzoate?
The molecular weight of Methyl 3,4,5-trimethoxybenzoate is 226.08 g/mol.
Where can I buy Methyl 3,4,5-trimethoxybenzoate?
You can request a quote for Methyl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.