Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate
TL;DR: Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate (CAS 363-58-6) is a chemical compound with molecular formula C6H6ClF3O3 and molecular weight 218.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate
Also Known As: ethyl 2-chloro-4,4,4-trifluoroacetoacetate, Dinoprostone, ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate, zlchem 1230, PGE2
| Molecular Formula | C6H6ClF3O3 |
|---|---|
| Molecular Weight | 218.00 g/mol |
| LogP | 1.2883 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.99576 |
| Heavy Atoms | 13 |
| Complexity | 213.66025 |
Chemical Identifiers
| CAS Number | 363-58-6 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C(F)(F)F)Cl |
Product Overview
Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate (CAS 363-58-6), with molecular formula C6H6ClF3O3 and molecular weight 218.00 g/mol. IUPAC: ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate
Property Insights of Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate
The XLogP value of 1.2883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate 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 2-chloro-4,4,4-trifluoro-3-oxobutanoate?
The CAS number of Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate is 363-58-6.
What is the molecular formula of Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate?
The molecular formula of Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate is C6H6ClF3O3.
What is the molecular weight of Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate?
The molecular weight of Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate is 218.00 g/mol.
Where can I buy Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate?
You can request a quote for Ethyl 2-chloro-4,4,4-trifluoro-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 2-chloro-4,4,4-trifluoro-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.