Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate
TL;DR: Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate (CAS 40995-61-7) is a chemical compound with molecular formula C13H22O6 and molecular weight 274.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate
Also Known As: ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate, Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxobutyrate, 2-diethoxyacetyl-3-ethoxy-acrylic acid ethyl ester, Butanoic acid, 4,4-diethoxy-2-(ethoxymethylene)-3-oxo-, ethyl ester
| Molecular Formula | C13H22O6 |
|---|---|
| Molecular Weight | 274.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 274.14163 |
| Heavy Atoms | 19 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 40995-61-7 |
|---|---|
| SMILES | CCOC=C(C(=O)C(OCC)OCC)C(=O)OCC |
| InChIKey | CJDBTRBKLAYPCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate (CAS 40995-61-7), with molecular formula C13H22O6 and molecular weight 274.14 g/mol. IUPAC: ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate.
Chemical Property Profile of Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate
Property Insights of Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate 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 Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate?
The CAS number of Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate is 40995-61-7.
What is the molecular formula of Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate?
The molecular formula of Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate is C13H22O6.
What is the molecular weight of Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate?
The molecular weight of Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate is 274.14 g/mol.
Where can I buy Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate?
You can request a quote for Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.