Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester
TL;DR: Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester (CAS 3788-94-1) 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 2-(ethoxymethylidene)-3-oxobutanoate
Also Known As: Ethyl 2-(ethoxymethylene)acetoacetate, ethyl 2-(ethoxymethylene)-3-oxobutanoate, Ethyl 2-Acetyl-3-ethoxyacrylate, ethyl 2-(ethoxymethylene)-3-oxo-butanoate, ethyl 2-(ethoxymethylidene)-3-oxobutanoate
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 1.0 |
| 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 | 218.0 |
Chemical Identifiers
| CAS Number | 3788-94-1 |
|---|---|
| SMILES | CCOC=C(C(=O)C)C(=O)OCC |
| InChIKey | FNASCUBBFNCFQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester (CAS 3788-94-1), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: ethyl 2-(ethoxymethylidene)-3-oxobutanoate.
Chemical Property Profile of Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester
Property Insights of Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester 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 Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester?
The CAS number of Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester is 3788-94-1.
What is the molecular formula of Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester?
The molecular formula of Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester is C9H14O4.
What is the molecular weight of Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester?
The molecular weight of Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester is 186.09 g/mol.
Where can I buy Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester?
You can request a quote for Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.