Methyl perfluoro-3,6-dioxaheptanoate
TL;DR: Methyl perfluoro-3,6-dioxaheptanoate (CAS 651-84-3) is a chemical compound with molecular formula C6H3F9O4 and molecular weight 309.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate
Also Known As: Methyl perfluoro-3,6-dioxaheptanoate, 2-Chloro-3-fluorophenol, Methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate, Acetic acid,2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]-, methyl ester, Perfluoro-3,6-dioxaheptanoic acid methyl ester
| Molecular Formula | C6H3F9O4 |
|---|---|
| Molecular Weight | 309.99 g/mol |
| LogP | 2.4908 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.98877 |
| Heavy Atoms | 19 |
| Complexity | 336.09177 |
Chemical Identifiers
| CAS Number | 651-84-3 |
|---|---|
| SMILES | COC(=O)C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F |
Product Overview
Methyl perfluoro-3,6-dioxaheptanoate (CAS 651-84-3), with molecular formula C6H3F9O4 and molecular weight 309.99 g/mol. IUPAC: methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate.
Chemical Property Profile of Methyl perfluoro-3,6-dioxaheptanoate
Property Insights of Methyl perfluoro-3,6-dioxaheptanoate
The XLogP value of 2.4908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl perfluoro-3,6-dioxaheptanoate. With a topological polar surface area (TPSA) of 44.76 Ų, Methyl perfluoro-3,6-dioxaheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl perfluoro-3,6-dioxaheptanoate has 0 hydrogen bond donor(s) and 4 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 perfluoro-3,6-dioxaheptanoate?
The CAS number of Methyl perfluoro-3,6-dioxaheptanoate is 651-84-3.
What is the molecular formula of Methyl perfluoro-3,6-dioxaheptanoate?
The molecular formula of Methyl perfluoro-3,6-dioxaheptanoate is C6H3F9O4.
What is the molecular weight of Methyl perfluoro-3,6-dioxaheptanoate?
The molecular weight of Methyl perfluoro-3,6-dioxaheptanoate is 309.99 g/mol.
Where can I buy Methyl perfluoro-3,6-dioxaheptanoate?
You can request a quote for Methyl perfluoro-3,6-dioxaheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl perfluoro-3,6-dioxaheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl perfluoro-3,6-dioxaheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.