Ethyl 1,3-benzodioxole-5-propionate
TL;DR: Ethyl 1,3-benzodioxole-5-propionate (CAS 7116-48-5) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,3-benzodioxol-5-yl)propanoate
Also Known As: Ethyl piperonylacetate, Ethyl 1,3-benzodioxole-5-propionate, Ethyl homopiperonylacetate, Ethyl 3-(1,3-benzodioxol-5-yl)propanoate, 1,3-Benzodioxole-5-propanoic acid, ethyl ester
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 7116-48-5 |
|---|---|
| SMILES | CCOC(=O)CCC1=CC2=C(C=C1)OCO2 |
| InChIKey | SHFDGDJEJOHKSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1,3-benzodioxole-5-propionate (CAS 7116-48-5), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: ethyl 3-(1,3-benzodioxol-5-yl)propanoate.
Chemical Property Profile of Ethyl 1,3-benzodioxole-5-propionate
Property Insights of Ethyl 1,3-benzodioxole-5-propionate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,3-benzodioxole-5-propionate. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl 1,3-benzodioxole-5-propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1,3-benzodioxole-5-propionate has 0 hydrogen bond donor(s) and 4 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-benzodioxole-5-propionate?
The CAS number of Ethyl 1,3-benzodioxole-5-propionate is 7116-48-5.
What is the molecular formula of Ethyl 1,3-benzodioxole-5-propionate?
The molecular formula of Ethyl 1,3-benzodioxole-5-propionate is C12H14O4.
What is the molecular weight of Ethyl 1,3-benzodioxole-5-propionate?
The molecular weight of Ethyl 1,3-benzodioxole-5-propionate is 222.09 g/mol.
Where can I buy Ethyl 1,3-benzodioxole-5-propionate?
You can request a quote for Ethyl 1,3-benzodioxole-5-propionate 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-benzodioxole-5-propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,3-benzodioxole-5-propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.