Ethyl 2-(ethoxymethylene)acetoacetate
TL;DR: Ethyl 2-(ethoxymethylene)acetoacetate (CAS 66975-53-9) 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.
ethyl (2E)-2-(ethoxymethylidene)-3-oxobutanoate
Also Known As: Ethyl 2-(ethoxymethylene)acetoacetate, ethyl 2-(ethoxymethylene)-3-oxobutanoate, ETHYL2- ACETOACETATE, Ethyl 2-Acetyl-3-ethoxyacrylate, EINECS 223-259-3
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 1.0589 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 217.65459 |
Chemical Identifiers
| CAS Number | 66975-53-9 |
|---|---|
| SMILES | CCO/C=C(\C(=O)C)/C(=O)OCC |
Product Overview
Ethyl 2-(ethoxymethylene)acetoacetate (CAS 66975-53-9), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: ethyl (2E)-2-(ethoxymethylidene)-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-(ethoxymethylene)acetoacetate
Property Insights of Ethyl 2-(ethoxymethylene)acetoacetate
The XLogP value of 1.0589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(ethoxymethylene)acetoacetate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 2-(ethoxymethylene)acetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(ethoxymethylene)acetoacetate 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 Ethyl 2-(ethoxymethylene)acetoacetate?
The CAS number of Ethyl 2-(ethoxymethylene)acetoacetate is 66975-53-9.
What is the molecular formula of Ethyl 2-(ethoxymethylene)acetoacetate?
The molecular formula of Ethyl 2-(ethoxymethylene)acetoacetate is C9H14O4.
What is the molecular weight of Ethyl 2-(ethoxymethylene)acetoacetate?
The molecular weight of Ethyl 2-(ethoxymethylene)acetoacetate is 186.09 g/mol.
Where can I buy Ethyl 2-(ethoxymethylene)acetoacetate?
You can request a quote for Ethyl 2-(ethoxymethylene)acetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(ethoxymethylene)acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(ethoxymethylene)acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.