Methyl 2-formyl-3,5-dimethoxybenzoate
TL;DR: Methyl 2-formyl-3,5-dimethoxybenzoate (CAS 52344-93-1) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-formyl-3,5-dimethoxybenzoate
Also Known As: Methyl 2-formyl-3,5-dimethoxybenzoate, methyl 2-formyl-3,5-dimethoxy-benzoate, 2-Formyl-3,5-dimethoxybenzoic acid methyl ester, METHYL2-FORMYL-3,5-DIMETHOXYBENZOATE, J1.590.775D
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 52344-93-1 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)OC)C=O)C(=O)OC |
| InChIKey | HLWARVBOEGPPGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-formyl-3,5-dimethoxybenzoate (CAS 52344-93-1), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: methyl 2-formyl-3,5-dimethoxybenzoate.
Chemical Property Profile of Methyl 2-formyl-3,5-dimethoxybenzoate
Property Insights of Methyl 2-formyl-3,5-dimethoxybenzoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-formyl-3,5-dimethoxybenzoate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-formyl-3,5-dimethoxybenzoate. Following Lipinski's Rule of Five, Methyl 2-formyl-3,5-dimethoxybenzoate 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-formyl-3,5-dimethoxybenzoate?
The CAS number of Methyl 2-formyl-3,5-dimethoxybenzoate is 52344-93-1.
What is the molecular formula of Methyl 2-formyl-3,5-dimethoxybenzoate?
The molecular formula of Methyl 2-formyl-3,5-dimethoxybenzoate is C11H12O5.
What is the molecular weight of Methyl 2-formyl-3,5-dimethoxybenzoate?
The molecular weight of Methyl 2-formyl-3,5-dimethoxybenzoate is 224.07 g/mol.
Where can I buy Methyl 2-formyl-3,5-dimethoxybenzoate?
You can request a quote for Methyl 2-formyl-3,5-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-formyl-3,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-formyl-3,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.