Ethyl heptafluorobutyrylacetate
TL;DR: Ethyl heptafluorobutyrylacetate (CAS 336-62-9) is a chemical compound with molecular formula C8H7F7O3 and molecular weight 284.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4,5,5,6,6,6-heptafluoro-3-oxohexanoate
Also Known As: Ethyl heptafluorobutyrylacetate, Ethyl heptafluorobutanoylacetate, Ethylheptafluorobutyrylacetate, Ethyl 4,4,5,5,6,6,6-heptafluoro-3-oxohexanoate, ethyl heptafluorobutyryl acetate
| Molecular Formula | C8H7F7O3 |
|---|---|
| Molecular Weight | 284.03 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 | 284.02835 |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 336-62-9 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | CMGCMFZWEPCGSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl heptafluorobutyrylacetate (CAS 336-62-9), with molecular formula C8H7F7O3 and molecular weight 284.03 g/mol. IUPAC: ethyl 4,4,5,5,6,6,6-heptafluoro-3-oxohexanoate.
Chemical Property Profile of Ethyl heptafluorobutyrylacetate
Property Insights of Ethyl heptafluorobutyrylacetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl heptafluorobutyrylacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl heptafluorobutyrylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl heptafluorobutyrylacetate 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 heptafluorobutyrylacetate?
The CAS number of Ethyl heptafluorobutyrylacetate is 336-62-9.
What is the molecular formula of Ethyl heptafluorobutyrylacetate?
The molecular formula of Ethyl heptafluorobutyrylacetate is C8H7F7O3.
What is the molecular weight of Ethyl heptafluorobutyrylacetate?
The molecular weight of Ethyl heptafluorobutyrylacetate is 284.03 g/mol.
Where can I buy Ethyl heptafluorobutyrylacetate?
You can request a quote for Ethyl heptafluorobutyrylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl heptafluorobutyrylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl heptafluorobutyrylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.