![Diethyl [3-ethoxyprop-2-enylidene]malonate structure](/static/products/3040/3040-24-2.webp)
Diethyl [3-ethoxyprop-2-enylidene]malonate
TL;DR: Diethyl [3-ethoxyprop-2-enylidene]malonate (CAS 3040-24-2) is a chemical compound with molecular formula C12H18O5 and molecular weight 242.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3-ethoxyprop-2-enylidene)propanedioate
Also Known As: Diethyl 3-ethoxyallylidenemalonate, Diethyl [3-ethoxyprop-2-enylidene]malonate, diethyl 2-(3-ethoxyprop-2-enylidene)propanedioate, diethyl (3-ethoxyprop-2-en-1-ylidene)propanedioate, Propanedioic acid, (3-ethoxy-2-propenylidene)-, diethyl ester
| Molecular Formula | C12H18O5 |
|---|---|
| Molecular Weight | 242.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 242.11542 |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 3040-24-2 |
|---|---|
| SMILES | CCOC=CC=C(C(=O)OCC)C(=O)OCC |
| InChIKey | HGFFSRDAOVLOSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl [3-ethoxyprop-2-enylidene]malonate (CAS 3040-24-2), with molecular formula C12H18O5 and molecular weight 242.12 g/mol. IUPAC: diethyl 2-(3-ethoxyprop-2-enylidene)propanedioate.
Chemical Property Profile of Diethyl [3-ethoxyprop-2-enylidene]malonate
Property Insights of Diethyl [3-ethoxyprop-2-enylidene]malonate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl [3-ethoxyprop-2-enylidene]malonate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl [3-ethoxyprop-2-enylidene]malonate. Following Lipinski's Rule of Five, Diethyl [3-ethoxyprop-2-enylidene]malonate has 0 hydrogen bond donor(s) and 5 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 [3-ethoxyprop-2-enylidene]malonate?
The CAS number of Diethyl [3-ethoxyprop-2-enylidene]malonate is 3040-24-2.
What is the molecular formula of Diethyl [3-ethoxyprop-2-enylidene]malonate?
The molecular formula of Diethyl [3-ethoxyprop-2-enylidene]malonate is C12H18O5.
What is the molecular weight of Diethyl [3-ethoxyprop-2-enylidene]malonate?
The molecular weight of Diethyl [3-ethoxyprop-2-enylidene]malonate is 242.12 g/mol.
Where can I buy Diethyl [3-ethoxyprop-2-enylidene]malonate?
You can request a quote for Diethyl [3-ethoxyprop-2-enylidene]malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl [3-ethoxyprop-2-enylidene]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [3-ethoxyprop-2-enylidene]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.