Ethyl 2-fluoro-3-oxobutanoate
TL;DR: Ethyl 2-fluoro-3-oxobutanoate (CAS 192702-01-5) is a chemical compound with molecular formula C6H9FO3 and molecular weight 148.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-fluoro-3-oxobutanoate
Also Known As: Ethyl 2-fluoroacetoacetate, ethyl 2-fluoro-3-oxobutanoate, ethyl-2-fluoroacetoacetate, ethyl2-fluoroacetoacetate, 2-Fluoroacetoacetic Acid Ethyl Ester
| Molecular Formula | C6H9FO3 |
|---|---|
| Molecular Weight | 148.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.05357 |
| Heavy Atoms | 10 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 192702-01-5 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)F |
| InChIKey | SHTFQLHOTAJQRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-fluoro-3-oxobutanoate (CAS 192702-01-5), with molecular formula C6H9FO3 and molecular weight 148.05 g/mol. IUPAC: ethyl 2-fluoro-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-fluoro-3-oxobutanoate
Property Insights of Ethyl 2-fluoro-3-oxobutanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-fluoro-3-oxobutanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-fluoro-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-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
Frequently Asked Questions
What is the CAS number of Ethyl 2-fluoro-3-oxobutanoate?
The CAS number of Ethyl 2-fluoro-3-oxobutanoate is 192702-01-5.
What is the molecular formula of Ethyl 2-fluoro-3-oxobutanoate?
The molecular formula of Ethyl 2-fluoro-3-oxobutanoate is C6H9FO3.
What is the molecular weight of Ethyl 2-fluoro-3-oxobutanoate?
The molecular weight of Ethyl 2-fluoro-3-oxobutanoate is 148.05 g/mol.
Where can I buy Ethyl 2-fluoro-3-oxobutanoate?
You can request a quote for Ethyl 2-fluoro-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 2-fluoro-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-fluoro-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.