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Ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate
TL;DR: Ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate (CAS 15386-86-4) is a chemical compound with molecular formula C12H12F3NO3 and molecular weight 275.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
Also Known As: ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate, Ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]acetate, ethyl 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate, ethyl 3-oxo-3-([3-(trifluoromethyl)phenyl]amino}propanoate, Ethyl 3-oxo-3-[[3-(trifluoromethyl)phenyl]amino]propanoate
| Molecular Formula | C12H12F3NO3 |
|---|---|
| Molecular Weight | 275.08 g/mol |
| LogP | 2.5971 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.07693 |
| Heavy Atoms | 19 |
| Complexity | 471.53256 |
Chemical Identifiers
| CAS Number | 15386-86-4 |
|---|---|
| SMILES | CCOC(=O)CC(=O)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
Ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate (CAS 15386-86-4), with molecular formula C12H12F3NO3 and molecular weight 275.08 g/mol. IUPAC: ethyl 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate.
Chemical Property Profile of Ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate
Property Insights of Ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate
The XLogP value of 2.5971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate has 1 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]amino}propanoate?
The CAS number of Ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate is 15386-86-4.
What is the molecular formula of Ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate?
The molecular formula of Ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate is C12H12F3NO3.
What is the molecular weight of Ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate?
The molecular weight of Ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate is 275.08 g/mol.
Where can I buy Ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate?
You can request a quote for Ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}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]amino}propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.