![ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate structure](/static/products/157/15725-21-0.webp)
ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate
TL;DR: ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate (CAS 15725-21-0) is a chemical compound with molecular formula C13H13FO3 and molecular weight 236.08487 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate
Also Known As: ETHYLACETOACETATE,3-FLUOROBENZAL, Ethyl 2-acetyl-3-(3-fluorophenyl)acrylate, ethyl 2-(3-fluorobenzylidene)-3-oxobutanoate, ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate, ethyl (2E)-2-[(3-fluorophenyl)methylene]-3-oxo-butanoate
Technical Specifications
| Molecular Formula | C13H13FO3 |
| Molecular Weight | 236.08487 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.08487 Da |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
| SMILES | CCOC(=O)/C(=C/C1=CC(=CC=C1)F)/C(=O)C |
| InChIKey | KQMDETGZOYLZCF-XYOKQWHBSA-N |
Chemical Property Profile of ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate
Property Insights of ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate. With a topological polar surface area (TPSA) of 43.4 Ų, ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2E)-2-[(3-fluorophenyl)methylidene]-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 (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate?
The CAS number of ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate is 15725-21-0.
What is the molecular formula of ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate?
The molecular formula of ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate is C13H13FO3.
What is the molecular weight of ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate?
The molecular weight of ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate is 236.08487 g/mol.
Where can I buy ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate?
You can request a quote for ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate?
Yes, CoreyChem provides custom synthesis services for ethyl (2E)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.