Ethyl (pentafluorobenzoyl)acetate
TL;DR: Ethyl (pentafluorobenzoyl)acetate (CAS 736136-29-1) is a chemical compound with molecular formula C11H7F5O3 and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-3-(2,3,4,5,6-pentafluorophenyl)propanoate
Also Known As: Ethyl (pentafluorobenzoyl)acetate, Ethyl 3-oxo-3-(perfluorophenyl)propanoate, ethyl pentafluorobenzoylacetate, 3-oxo-3-pentafluorophenylpropionic acid ethyl ester, ethyl 3-oxo-3-(2,3,4,5,6-pentafluorophenyl)propanoate
| Molecular Formula | C11H7F5O3 |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | 2.518 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.03152 |
| Heavy Atoms | 19 |
| Complexity | 512.61755 |
Chemical Identifiers
| CAS Number | 736136-29-1 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=C(C(=C(C(=C1F)F)F)F)F |
Product Overview
Ethyl (pentafluorobenzoyl)acetate (CAS 736136-29-1), with molecular formula C11H7F5O3 and molecular weight 282.03 g/mol. IUPAC: ethyl 3-oxo-3-(2,3,4,5,6-pentafluorophenyl)propanoate.
Chemical Property Profile of Ethyl (pentafluorobenzoyl)acetate
Property Insights of Ethyl (pentafluorobenzoyl)acetate
The XLogP value of 2.518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (pentafluorobenzoyl)acetate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl (pentafluorobenzoyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (pentafluorobenzoyl)acetate 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 (pentafluorobenzoyl)acetate?
The CAS number of Ethyl (pentafluorobenzoyl)acetate is 736136-29-1.
What is the molecular formula of Ethyl (pentafluorobenzoyl)acetate?
The molecular formula of Ethyl (pentafluorobenzoyl)acetate is C11H7F5O3.
What is the molecular weight of Ethyl (pentafluorobenzoyl)acetate?
The molecular weight of Ethyl (pentafluorobenzoyl)acetate is 282.03 g/mol.
Where can I buy Ethyl (pentafluorobenzoyl)acetate?
You can request a quote for Ethyl (pentafluorobenzoyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (pentafluorobenzoyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (pentafluorobenzoyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.