Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate
TL;DR: Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate (CAS 89129-69-1) is a chemical compound with molecular formula C8H6F8O3 and molecular weight 302.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate
Also Known As: Methyl 4H-perfluorobutylacetoacetate, methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate, Methyl 2H,2H,7H-perfluoro-3-oxoheptanoate, Methyl 4H-perfluorobutyl acetoacetate, 4,4,5,5,6,6,7,7-Octafluoro-3-oxoheptanoic acid methyl ester
| Molecular Formula | C8H6F8O3 |
|---|---|
| Molecular Weight | 302.02 g/mol |
| LogP | 2.2896 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.01892 |
| Heavy Atoms | 19 |
| Complexity | 365.00555 |
Chemical Identifiers
| CAS Number | 89129-69-1 |
|---|---|
| SMILES | COC(=O)CC(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F |
Product Overview
Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate (CAS 89129-69-1), with molecular formula C8H6F8O3 and molecular weight 302.02 g/mol. IUPAC: methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate.
Chemical Property Profile of Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate
Property Insights of Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate
The XLogP value of 2.2896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate 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 Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate?
The CAS number of Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate is 89129-69-1.
What is the molecular formula of Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate?
The molecular formula of Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate is C8H6F8O3.
What is the molecular weight of Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate?
The molecular weight of Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate is 302.02 g/mol.
Where can I buy Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate?
You can request a quote for Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.