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Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate
TL;DR: Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate (CAS 349100-75-0) is a chemical compound with molecular formula C12H11F3O3 and molecular weight 260.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate
Also Known As: Ethyl (3-trifluoromethylbenzoyl)acetate, ETHALFLURALIN, ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate, BLEOMYCINA2, Ethyl 3-oxo-3-(3-(trifluoromethyl)phenyl)propanoate
| Molecular Formula | C12H11F3O3 |
|---|---|
| Molecular Weight | 260.07 g/mol |
| LogP | 2.8413 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.06604 |
| Heavy Atoms | 18 |
| Complexity | 452.126 |
Chemical Identifiers
| CAS Number | 349100-75-0 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC(=CC=C1)C(F)(F)F |
Product Overview
Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate (CAS 349100-75-0), with molecular formula C12H11F3O3 and molecular weight 260.07 g/mol. IUPAC: ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate.
Chemical Property Profile of Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate
Property Insights of Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate
The XLogP value of 2.8413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate 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-oxo-3-[3-(trifluoromethyl)phenyl]propanoate?
The CAS number of Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate is 349100-75-0.
What is the molecular formula of Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate?
The molecular formula of Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate is C12H11F3O3.
What is the molecular weight of Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate?
The molecular weight of Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate is 260.07 g/mol.
Where can I buy Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate?
You can request a quote for Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.