Ethyl 2-pentafluoroethylacetoacetate
TL;DR: Ethyl 2-pentafluoroethylacetoacetate (CAS 189237-56-7) is a chemical compound with molecular formula C8H9F5O3 and molecular weight 248.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-3,3,4,4,4-pentafluorobutanoate
Also Known As: ethyl 2-pentafluoroethylacetoacetate, Ethyl 2-acetyl-3,3,4,4,4-pentafluorobutanoate, 2-(Pentafluoroethyl)acetoacetic acid ethyl ester, 3-Oxo-2-pentafluoroethyl butanoic acid,ethyl ester, 3-Oxo-2-(pentafluoroethyl)butanoic acid ethyl ester
| Molecular Formula | C8H9F5O3 |
|---|---|
| Molecular Weight | 248.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.04718 |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 189237-56-7 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)C(C(F)(F)F)(F)F |
| InChIKey | YDZOWGYGKCGDPG-UHFFFAOYSA-N |
Product Overview
Ethyl 2-pentafluoroethylacetoacetate (CAS 189237-56-7), with molecular formula C8H9F5O3 and molecular weight 248.05 g/mol. IUPAC: ethyl 2-acetyl-3,3,4,4,4-pentafluorobutanoate.
Chemical Property Profile of Ethyl 2-pentafluoroethylacetoacetate
Property Insights of Ethyl 2-pentafluoroethylacetoacetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-pentafluoroethylacetoacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-pentafluoroethylacetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-pentafluoroethylacetoacetate has 0 hydrogen bond donor(s) and 8 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-pentafluoroethylacetoacetate?
The CAS number of Ethyl 2-pentafluoroethylacetoacetate is 189237-56-7.
What is the molecular formula of Ethyl 2-pentafluoroethylacetoacetate?
The molecular formula of Ethyl 2-pentafluoroethylacetoacetate is C8H9F5O3.
What is the molecular weight of Ethyl 2-pentafluoroethylacetoacetate?
The molecular weight of Ethyl 2-pentafluoroethylacetoacetate is 248.05 g/mol.
Where can I buy Ethyl 2-pentafluoroethylacetoacetate?
You can request a quote for Ethyl 2-pentafluoroethylacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-pentafluoroethylacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-pentafluoroethylacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.