Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester
TL;DR: Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester (CAS 32407-67-3) is a chemical compound with molecular formula C12H16O5 and molecular weight 240.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,4-dimethoxyphenyl)-2-hydroxyacetate
Also Known As: Ethyl 3,4-dimethoxymandelate, ethyl3,4-dimethoxymandelate, ethyl 2-(3,4-dimethoxyphenyl)-2-hydroxyacetate, 3,4-Dimethoxymandelic acid ethyl ester, Ethyl 3,4-dimethoxy-alpha-hydroxyphenylacetate
| Molecular Formula | C12H16O5 |
|---|---|
| Molecular Weight | 240.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.09978 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 32407-67-3 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC(=C(C=C1)OC)OC)O |
| InChIKey | TXKORQPSJUQGFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester (CAS 32407-67-3), with molecular formula C12H16O5 and molecular weight 240.10 g/mol. IUPAC: ethyl 2-(3,4-dimethoxyphenyl)-2-hydroxyacetate.
Chemical Property Profile of Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester
Property Insights of Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester has 1 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 Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester?
The CAS number of Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester is 32407-67-3.
What is the molecular formula of Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester?
The molecular formula of Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester is C12H16O5.
What is the molecular weight of Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester?
The molecular weight of Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester is 240.10 g/mol.
Where can I buy Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester?
You can request a quote for Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-hydroxy-3,4-dimethoxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.