Ethyl 4,4,4-trifluoro-2-methoxy-3-oxobutanoate
TL;DR: Ethyl 4,4,4-trifluoro-2-methoxy-3-oxobutanoate (CAS 75631-71-9) is a chemical compound with molecular formula C7H9F3O4 and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4,4-trifluoro-2-methoxy-3-oxobutanoate
Also Known As: ethyl 4,4,4-trifluoro-2-methoxy-3-oxobutanoate, 4,4,4-trifluoro-2-methoxy-3-oxobutyric acid ethyl ester, Ethyl 4,4,4-Trifluoro-2-methoxy-3-oxobutyrate, J1.488.421A, Butanoic acid, 4,4,4-trifluoro-2-methoxy-3-oxo-, ethyl ester
| Molecular Formula | C7H9F3O4 |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 0.6959 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.04529 |
| Heavy Atoms | 14 |
| Complexity | 223.46503 |
Chemical Identifiers
| CAS Number | 75631-71-9 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C(F)(F)F)OC |
Product Overview
Ethyl 4,4,4-trifluoro-2-methoxy-3-oxobutanoate (CAS 75631-71-9), with molecular formula C7H9F3O4 and molecular weight 214.05 g/mol. IUPAC: ethyl 4,4,4-trifluoro-2-methoxy-3-oxobutanoate.
Chemical Property Profile of Ethyl 4,4,4-trifluoro-2-methoxy-3-oxobutanoate
Property Insights of Ethyl 4,4,4-trifluoro-2-methoxy-3-oxobutanoate
The XLogP value of 0.6959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,4,4-trifluoro-2-methoxy-3-oxobutanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 4,4,4-trifluoro-2-methoxy-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,4,4-trifluoro-2-methoxy-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 4,4,4-trifluoro-2-methoxy-3-oxobutanoate?
The CAS number of Ethyl 4,4,4-trifluoro-2-methoxy-3-oxobutanoate is 75631-71-9.
What is the molecular formula of Ethyl 4,4,4-trifluoro-2-methoxy-3-oxobutanoate?
The molecular formula of Ethyl 4,4,4-trifluoro-2-methoxy-3-oxobutanoate is C7H9F3O4.
What is the molecular weight of Ethyl 4,4,4-trifluoro-2-methoxy-3-oxobutanoate?
The molecular weight of Ethyl 4,4,4-trifluoro-2-methoxy-3-oxobutanoate is 214.05 g/mol.
Where can I buy Ethyl 4,4,4-trifluoro-2-methoxy-3-oxobutanoate?
You can request a quote for Ethyl 4,4,4-trifluoro-2-methoxy-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 4,4,4-trifluoro-2-methoxy-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4,4-trifluoro-2-methoxy-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.