Ethyl 4-fluoro-3-oxobutanoate
TL;DR: Ethyl 4-fluoro-3-oxobutanoate (CAS 372-37-2) is a chemical compound with molecular formula C6H9FO3 and molecular weight 148.05357 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-fluoro-3-oxobutanoate
Also Known As: ethyl 4-fluoro-3-oxobutanoate, Ethyl 4-fluoroacetoacetate, Ethyl omega-fluoroacetoacetate, ethyl fluoroacetoacetate, ETHYLG-FLUOROACETOACETATE
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H9FO3 |
| Molecular Weight | 148.05357 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 148.05357 Da |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
| SMILES | CCOC(=O)CC(=O)CF |
| InChIKey | KQBYNGJTZNCQCO-UHFFFAOYSA-N |
Product Description
Applications: Ethyl 4-fluoro-3-oxobutanoate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl 4-fluoro-3-oxobutanoate (CAS 372-37-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Ethyl 4-fluoro-3-oxobutanoate (CAS 372-37-2) is a heterocyclic building block with the molecular formula C6H9FO3 and a molecular weight of 148.05 g/mol. It is also known as ethyl 4-fluoro-3-oxobutanoate and Ethyl 4-fluoroacetoacetate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ethyl 4-fluoro-3-oxobutanoate
Property Insights of Ethyl 4-fluoro-3-oxobutanoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-fluoro-3-oxobutanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 4-fluoro-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-fluoro-3-oxobutanoate 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
What is the CAS number of Ethyl 4-fluoro-3-oxobutanoate?
The CAS number of Ethyl 4-fluoro-3-oxobutanoate is 372-37-2.
What is the molecular formula of Ethyl 4-fluoro-3-oxobutanoate?
The molecular formula of Ethyl 4-fluoro-3-oxobutanoate is C6H9FO3.
What is the molecular weight of Ethyl 4-fluoro-3-oxobutanoate?
The molecular weight of Ethyl 4-fluoro-3-oxobutanoate is 148.05357 g/mol.
What are the applications of Ethyl 4-fluoro-3-oxobutanoate?
Ethyl 4-fluoro-3-oxobutanoate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl...
Where can I buy Ethyl 4-fluoro-3-oxobutanoate?
You can request a quote for Ethyl 4-fluoro-3-oxobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-fluoro-3-oxobutanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-fluoro-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.