Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate
TL;DR: Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate (CAS 6318-00-9) is a chemical compound with molecular formula C15H16O6 and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1,3-benzodioxol-5-ylmethylidene)propanedioate
Also Known As: Diethyl piperonylidenemalonate, Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate, Piperonylidene malonic acid diethyl ester, J1.487.630H, diethyl 2-(1,3-benzodioxol-5-ylmethylidene)propanedioate
| Molecular Formula | C15H16O6 |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.0947 |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 6318-00-9 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC2=C(C=C1)OCO2)C(=O)OCC |
| InChIKey | YRPDOPMGYCRHAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate (CAS 6318-00-9), with molecular formula C15H16O6 and molecular weight 292.09 g/mol. IUPAC: diethyl 2-(1,3-benzodioxol-5-ylmethylidene)propanedioate.
Chemical Property Profile of Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate
Property Insights of Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate. Following Lipinski's Rule of Five, Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate has 0 hydrogen bond donor(s) and 6 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 Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate?
The CAS number of Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate is 6318-00-9.
What is the molecular formula of Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate?
The molecular formula of Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate is C15H16O6.
What is the molecular weight of Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate?
The molecular weight of Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate is 292.09 g/mol.
Where can I buy Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate?
You can request a quote for Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.