Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate
TL;DR: Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate (CAS 55130-39-7) is a chemical compound with molecular formula C11H16O6 and molecular weight 244.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(ethoxymethylidene)-3-oxobutanedioate
Also Known As: Diethylethoxymethyleneoxalacetate, Diethyl ethoxymethyleneoxalacetate, diethyl(ethoxymethylene)oxalacetate, Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate, Diethyl (ethoxymethylene)oxalacetate
| Molecular Formula | C11H16O6 |
|---|---|
| Molecular Weight | 244.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 244.09468 |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 55130-39-7 |
|---|---|
| SMILES | CCOC=C(C(=O)C(=O)OCC)C(=O)OCC |
| InChIKey | UZVPVDDPMTWWED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate (CAS 55130-39-7), with molecular formula C11H16O6 and molecular weight 244.09 g/mol. IUPAC: diethyl 2-(ethoxymethylidene)-3-oxobutanedioate.
Chemical Property Profile of Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate
Property Insights of Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate. Following Lipinski's Rule of Five, Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate 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 Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate?
The CAS number of Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate is 55130-39-7.
What is the molecular formula of Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate?
The molecular formula of Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate is C11H16O6.
What is the molecular weight of Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate?
The molecular weight of Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate is 244.09 g/mol.
Where can I buy Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate?
You can request a quote for Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(ethoxymethylidene)-3-oxobutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.