Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate
TL;DR: Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate (CAS 58101-23-8) is a chemical compound with molecular formula C11H10F2O3 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate
Also Known As: ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate, ethyl 2,4-difluorobenzoylacetate, ethyl 3-(2,4-difluorophenyl)-3-oxopropionate, Ethyl (2,4-difluorobenzoyl)acetate, ETHYL2,4-DIFLUOROBENZOYLACETATE
| Molecular Formula | C11H10F2O3 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 2.1007 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.0598 |
| Heavy Atoms | 16 |
| Complexity | 415.69073 |
Chemical Identifiers
| CAS Number | 58101-23-8 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=C(C=C(C=C1)F)F |
Product Overview
Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate (CAS 58101-23-8), with molecular formula C11H10F2O3 and molecular weight 228.06 g/mol. IUPAC: ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate
Property Insights of Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate
The XLogP value of 2.1007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate has 0 hydrogen bond donor(s) and 3 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 3-(2,4-difluorophenyl)-3-oxopropanoate?
The CAS number of Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate is 58101-23-8.
What is the molecular formula of Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate?
The molecular formula of Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate is C11H10F2O3.
What is the molecular weight of Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate?
The molecular weight of Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate is 228.06 g/mol.
Where can I buy Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate?
You can request a quote for Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(2,4-difluorophenyl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.