![Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate structure](/static/products/6132/613240-19-0.webp)
Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate
TL;DR: Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate (CAS 613240-19-0) is a chemical compound with molecular formula C13H11F3O4 and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate
Also Known As: Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate, Ethyl a,g-dioxo-4-trifluoromethylbenzenebutanoate, ETHYL 4-[4-(TRIFLUOROMETHYL)PHENYL]-2,4-DIOXOBUTANOATE, Benzenebutanoic acid, a,g-dioxo-4-(trifluoromethyl)-, ethyl ester, ethyl 2,4-dioxo-4-(4-(trifluoromethyl)phenyl)butanoate
| Molecular Formula | C13H11F3O4 |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.06094 |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 613240-19-0 |
|---|---|
| SMILES | CCOC(=O)C(=O)CC(=O)C1=CC=C(C=C1)C(F)(F)F |
| InChIKey | JHVRVXDQXHJMAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate (CAS 613240-19-0), with molecular formula C13H11F3O4 and molecular weight 288.06 g/mol. IUPAC: ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate.
Chemical Property Profile of Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate
Property Insights of Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate. Following Lipinski's Rule of Five, Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate has 0 hydrogen bond donor(s) and 7 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-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate?
The CAS number of Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate is 613240-19-0.
What is the molecular formula of Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate?
The molecular formula of Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate is C13H11F3O4.
What is the molecular weight of Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate?
The molecular weight of Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate is 288.06 g/mol.
Where can I buy Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate?
You can request a quote for Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate 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-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.