Diethyl ethylidenemalonate
TL;DR: Diethyl ethylidenemalonate (CAS 1462-12-0) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-ethylidenepropanedioate
Also Known As: Diethyl ethylidenemalonate, Diethyl 2-ethylidenemalonate, diethyl 2-ethylidenepropanedioate, Diethylethylidenemalonate, diethylethylidene malonate
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 1462-12-0 |
|---|---|
| SMILES | CCOC(=O)C(=CC)C(=O)OCC |
| InChIKey | LBBAWVLUOZVYCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl ethylidenemalonate (CAS 1462-12-0), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: diethyl 2-ethylidenepropanedioate.
Chemical Property Profile of Diethyl ethylidenemalonate
Property Insights of Diethyl ethylidenemalonate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl ethylidenemalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl ethylidenemalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl ethylidenemalonate 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 ethylidenemalonate?
The CAS number of Diethyl ethylidenemalonate is 1462-12-0.
What is the molecular formula of Diethyl ethylidenemalonate?
The molecular formula of Diethyl ethylidenemalonate is C9H14O4.
What is the molecular weight of Diethyl ethylidenemalonate?
The molecular weight of Diethyl ethylidenemalonate is 186.09 g/mol.
Where can I buy Diethyl ethylidenemalonate?
You can request a quote for Diethyl ethylidenemalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl ethylidenemalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ethylidenemalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.