Ethyl 2-(4-fluorobenzoyl)-3-oxobutanoate
TL;DR: Ethyl 2-(4-fluorobenzoyl)-3-oxobutanoate (CAS 146198-68-7) is a chemical compound with molecular formula C13H13FO4 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-fluorobenzoyl)-3-oxobutanoate
Also Known As: ethyl 2-(4-fluorobenzoyl)-3-oxobutanoate, 2-(4-Fluoro-benzoyl)-3-oxo-butyric acid ethyl ester, Ethyl 2-(4-fluorobenzoyl)-3-oxo-butanoate, 2-(4-fluorobenzoyl)-3-oxo-butyric acid ethyl ester, 2-(4-FLUORO-BENZOYL)-3-OXO-BUTYRIC ACID ETHYLESTER
| Molecular Formula | C13H13FO4 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 1.7767 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.07979 |
| Heavy Atoms | 18 |
| Complexity | 464.38452 |
Chemical Identifiers
| CAS Number | 146198-68-7 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)C(=O)C1=CC=C(C=C1)F |
Product Overview
Ethyl 2-(4-fluorobenzoyl)-3-oxobutanoate (CAS 146198-68-7), with molecular formula C13H13FO4 and molecular weight 252.08 g/mol. IUPAC: ethyl 2-(4-fluorobenzoyl)-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-(4-fluorobenzoyl)-3-oxobutanoate
Property Insights of Ethyl 2-(4-fluorobenzoyl)-3-oxobutanoate
The XLogP value of 1.7767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-fluorobenzoyl)-3-oxobutanoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-fluorobenzoyl)-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 2-(4-fluorobenzoyl)-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-(4-fluorobenzoyl)-3-oxobutanoate?
The CAS number of Ethyl 2-(4-fluorobenzoyl)-3-oxobutanoate is 146198-68-7.
What is the molecular formula of Ethyl 2-(4-fluorobenzoyl)-3-oxobutanoate?
The molecular formula of Ethyl 2-(4-fluorobenzoyl)-3-oxobutanoate is C13H13FO4.
What is the molecular weight of Ethyl 2-(4-fluorobenzoyl)-3-oxobutanoate?
The molecular weight of Ethyl 2-(4-fluorobenzoyl)-3-oxobutanoate is 252.08 g/mol.
Where can I buy Ethyl 2-(4-fluorobenzoyl)-3-oxobutanoate?
You can request a quote for Ethyl 2-(4-fluorobenzoyl)-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-(4-fluorobenzoyl)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-fluorobenzoyl)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.