Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate
TL;DR: Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate (CAS 26717-86-2) is a chemical compound with molecular formula C7H7F5O3 and molecular weight 234.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4,5,5,5-pentafluoro-3-oxopentanoate
Also Known As: Ethyl pentafluoropropionylacetate, Ethyl pentafluoropropionyl acetate, Ethyl 4,4,5,5,5-pentafluoro-3-oxopentanoate, Ethyl pentafluoropropanoyl acetate, ethyl (pentafluoropropionyl)acetate
| Molecular Formula | C7H7F5O3 |
|---|---|
| Molecular Weight | 234.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.03154 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 26717-86-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C(C(F)(F)F)(F)F |
| InChIKey | MWGSZQXKIYWSFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate (CAS 26717-86-2), with molecular formula C7H7F5O3 and molecular weight 234.03 g/mol. IUPAC: ethyl 4,4,5,5,5-pentafluoro-3-oxopentanoate.
Chemical Property Profile of Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate
Property Insights of Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate 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 4,4,5,5,5-Pentafluoro-3-oxovalerate?
The CAS number of Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate is 26717-86-2.
What is the molecular formula of Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate?
The molecular formula of Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate is C7H7F5O3.
What is the molecular weight of Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate?
The molecular weight of Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate is 234.03 g/mol.
Where can I buy Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate?
You can request a quote for Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.