Diethyl diallylmalonate
TL;DR: Diethyl diallylmalonate (CAS 3195-24-2) is a chemical compound with molecular formula C13H20O4 and molecular weight 240.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2-bis(prop-2-enyl)propanedioate
Also Known As: Diethyl diallylmalonate, Diethyl 2,2-diallylmalonate, Diallylmalonic acid diethyl ester, DIETHYLDIALLYLMALONATE, Diethyl=diallylmalonate
| Molecular Formula | C13H20O4 |
|---|---|
| Molecular Weight | 240.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 240.13615 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 3195-24-2 |
|---|---|
| SMILES | CCOC(=O)C(CC=C)(CC=C)C(=O)OCC |
| InChIKey | LYUUVYQGUMRKOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl diallylmalonate (CAS 3195-24-2), with molecular formula C13H20O4 and molecular weight 240.14 g/mol. IUPAC: diethyl 2,2-bis(prop-2-enyl)propanedioate.
Chemical Property Profile of Diethyl diallylmalonate
Property Insights of Diethyl diallylmalonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl diallylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl diallylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl diallylmalonate 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 Diethyl diallylmalonate?
The CAS number of Diethyl diallylmalonate is 3195-24-2.
What is the molecular formula of Diethyl diallylmalonate?
The molecular formula of Diethyl diallylmalonate is C13H20O4.
What is the molecular weight of Diethyl diallylmalonate?
The molecular weight of Diethyl diallylmalonate is 240.14 g/mol.
Where can I buy Diethyl diallylmalonate?
You can request a quote for Diethyl diallylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl diallylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl diallylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.