Methyl 2,4,6-trimethoxybenzoate
TL;DR: Methyl 2,4,6-trimethoxybenzoate (CAS 2990-56-9) 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 2,4,6-trimethoxybenzoate
Also Known As: methyl 2,4,6-trimethoxybenzoate, Phloroglucinol Impurity Q, 2,4,6-Trimethoxy-benzoic acid methyl ester, Methyl2,4,6-trimethoxybenzoate, Benzoic acid, 2,4,6-trimethoxy-, methyl ester
| 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 | 2990-56-9 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)OC)C(=O)OC)OC |
| InChIKey | CEARZEQLIHOYSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,4,6-trimethoxybenzoate (CAS 2990-56-9), with molecular formula C11H14O5 and molecular weight 226.08 g/mol. IUPAC: methyl 2,4,6-trimethoxybenzoate.
Chemical Property Profile of Methyl 2,4,6-trimethoxybenzoate
Property Insights of Methyl 2,4,6-trimethoxybenzoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,4,6-trimethoxybenzoate. With a topological polar surface area (TPSA) of 54.0 Ų, Methyl 2,4,6-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,4,6-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 2,4,6-trimethoxybenzoate?
The CAS number of Methyl 2,4,6-trimethoxybenzoate is 2990-56-9.
What is the molecular formula of Methyl 2,4,6-trimethoxybenzoate?
The molecular formula of Methyl 2,4,6-trimethoxybenzoate is C11H14O5.
What is the molecular weight of Methyl 2,4,6-trimethoxybenzoate?
The molecular weight of Methyl 2,4,6-trimethoxybenzoate is 226.08 g/mol.
Where can I buy Methyl 2,4,6-trimethoxybenzoate?
You can request a quote for Methyl 2,4,6-trimethoxybenzoate 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-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,4,6-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.