2-(1,3-Benzodioxol-5-yloxy)ethyl acetate
TL;DR: 2-(1,3-Benzodioxol-5-yloxy)ethyl acetate (CAS 115124-33-9) 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.
2-(1,3-benzodioxol-5-yloxy)ethyl acetate
Also Known As: 2-(1,3-benzodioxol-5-yloxy)ethyl acetate, 1-acetoxy-2-[3,4-(methylenedioxy)phenoxy]ethane
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 115124-33-9 |
|---|---|
| SMILES | CC(=O)OCCOC1=CC2=C(C=C1)OCO2 |
| InChIKey | JDVLIDITJYLDCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,3-Benzodioxol-5-yloxy)ethyl acetate (CAS 115124-33-9), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yloxy)ethyl acetate.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yloxy)ethyl acetate
Property Insights of 2-(1,3-Benzodioxol-5-yloxy)ethyl acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-yloxy)ethyl acetate. With a topological polar surface area (TPSA) of 54.0 Ų, 2-(1,3-Benzodioxol-5-yloxy)ethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yloxy)ethyl acetate 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 2-(1,3-Benzodioxol-5-yloxy)ethyl acetate?
The CAS number of 2-(1,3-Benzodioxol-5-yloxy)ethyl acetate is 115124-33-9.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yloxy)ethyl acetate?
The molecular formula of 2-(1,3-Benzodioxol-5-yloxy)ethyl acetate is C11H12O5.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yloxy)ethyl acetate?
The molecular weight of 2-(1,3-Benzodioxol-5-yloxy)ethyl acetate is 224.07 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yloxy)ethyl acetate?
You can request a quote for 2-(1,3-Benzodioxol-5-yloxy)ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-yloxy)ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-yloxy)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.