Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate
TL;DR: Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate (CAS 115124-42-0) 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.
ethyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate
Also Known As: ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate, benzo[1,3]dioxol-5-ylhydroxyacetic acid ethyl ester, Ethyl, A-hydroxy-1,3-benzodioxole-5-acetate, ethyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 115124-42-0 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC2=C(C=C1)OCO2)O |
| InChIKey | JAEFJAMYIRDNLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate (CAS 115124-42-0), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: ethyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate.
Chemical Property Profile of Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate
Property Insights of Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate. Following Lipinski's Rule of Five, Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate 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 Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate?
The CAS number of Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate is 115124-42-0.
What is the molecular formula of Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate?
The molecular formula of Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate is C11H12O5.
What is the molecular weight of Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate?
The molecular weight of Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate is 224.07 g/mol.
Where can I buy Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate?
You can request a quote for Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,3-benzodioxol-5-yl(hydroxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.