1,3-Benzodioxole-5-carboxylic acid, ethyl ester
TL;DR: 1,3-Benzodioxole-5-carboxylic acid, ethyl ester (CAS 6951-08-2) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,3-benzodioxole-5-carboxylate
Also Known As: Ethyl benzo[d][1,3]dioxole-5-carboxylate, Ethyl piperonylate, Piperonylic acid, ethyl ester, ethyl 1,3-benzodioxole-5-carboxylate, Ethyl 3,4-(methylenedioxy)benzoate
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 6951-08-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)OCO2 |
| InChIKey | JGHXNKLHSHDHDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxole-5-carboxylic acid, ethyl ester (CAS 6951-08-2), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: ethyl 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of 1,3-Benzodioxole-5-carboxylic acid, ethyl ester
Property Insights of 1,3-Benzodioxole-5-carboxylic acid, ethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-carboxylic acid, ethyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, 1,3-Benzodioxole-5-carboxylic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-carboxylic acid, ethyl ester 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 1,3-Benzodioxole-5-carboxylic acid, ethyl ester?
The CAS number of 1,3-Benzodioxole-5-carboxylic acid, ethyl ester is 6951-08-2.
What is the molecular formula of 1,3-Benzodioxole-5-carboxylic acid, ethyl ester?
The molecular formula of 1,3-Benzodioxole-5-carboxylic acid, ethyl ester is C10H10O4.
What is the molecular weight of 1,3-Benzodioxole-5-carboxylic acid, ethyl ester?
The molecular weight of 1,3-Benzodioxole-5-carboxylic acid, ethyl ester is 194.06 g/mol.
Where can I buy 1,3-Benzodioxole-5-carboxylic acid, ethyl ester?
You can request a quote for 1,3-Benzodioxole-5-carboxylic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5-carboxylic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-carboxylic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.