Malonic acid, piperonyl-, diethyl ester
TL;DR: Malonic acid, piperonyl-, diethyl ester (CAS 22180-30-9) is a chemical compound with molecular formula C15H18O6 and molecular weight 294.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1,3-benzodioxol-5-ylmethyl)propanedioate
Also Known As: Malonic acid, piperonyl-, diethyl ester, diethyl 2-(1,3-benzodioxol-5-ylmethyl)propanedioate, J1.377.878G, diethyl 2-(benzo[1,3]dioxol-5-ylmethyl)propanedioate, Diethyl [(2H-1,3-benzodioxol-5-yl)methyl]propanedioate
| Molecular Formula | C15H18O6 |
|---|---|
| Molecular Weight | 294.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 294.11035 |
| Heavy Atoms | 21 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 22180-30-9 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC2=C(C=C1)OCO2)C(=O)OCC |
| InChIKey | ZGWNOKCKFCUKPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Malonic acid, piperonyl-, diethyl ester (CAS 22180-30-9), with molecular formula C15H18O6 and molecular weight 294.11 g/mol. IUPAC: diethyl 2-(1,3-benzodioxol-5-ylmethyl)propanedioate.
Chemical Property Profile of Malonic acid, piperonyl-, diethyl ester
Property Insights of Malonic acid, piperonyl-, diethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malonic acid, piperonyl-, diethyl ester. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Malonic acid, piperonyl-, diethyl ester. Following Lipinski's Rule of Five, Malonic acid, piperonyl-, diethyl ester 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 Malonic acid, piperonyl-, diethyl ester?
The CAS number of Malonic acid, piperonyl-, diethyl ester is 22180-30-9.
What is the molecular formula of Malonic acid, piperonyl-, diethyl ester?
The molecular formula of Malonic acid, piperonyl-, diethyl ester is C15H18O6.
What is the molecular weight of Malonic acid, piperonyl-, diethyl ester?
The molecular weight of Malonic acid, piperonyl-, diethyl ester is 294.11 g/mol.
Where can I buy Malonic acid, piperonyl-, diethyl ester?
You can request a quote for Malonic acid, piperonyl-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonic acid, piperonyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Malonic acid, piperonyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.