Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate
TL;DR: Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate (CAS 189237-57-8) is a chemical compound with molecular formula C9H9F7O3 and molecular weight 298.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate
Also Known As: Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate, 2-(Heptafluoropropyl)acetoacetic acid ethyl ester, 3-Oxo-2-(heptafluoro-n-propyl)butanoic acid ethyl ester, Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate #, Pentanoic acid, 2-acetyl-3,3,4,4,5,5,5-heptafluoro-, ethyl ester
| Molecular Formula | C9H9F7O3 |
|---|---|
| Molecular Weight | 298.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.044 |
| Heavy Atoms | 19 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 189237-57-8 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | MVIFGNOCDBZRPJ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate (CAS 189237-57-8), with molecular formula C9H9F7O3 and molecular weight 298.04 g/mol. IUPAC: ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate.
Chemical Property Profile of Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate
Property Insights of Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate has 0 hydrogen bond donor(s) and 10 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-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate?
The CAS number of Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate is 189237-57-8.
What is the molecular formula of Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate?
The molecular formula of Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate is C9H9F7O3.
What is the molecular weight of Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate?
The molecular weight of Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate is 298.04 g/mol.
Where can I buy Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate?
You can request a quote for Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.