Methyl perfluoro-3,6,9-trioxadecanoate
TL;DR: Methyl perfluoro-3,6,9-trioxadecanoate (CAS 169289-58-1) is a chemical compound with molecular formula C8H3F13O5 and molecular weight 425.98 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-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]acetate
Also Known As: Methyl perfluoro-3,6,9-trioxadecanoate, 5458AD, METHYLPERFLUORO-3,6,9-TRIOXADECANOATE, Methyl difluoro{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy}acetate, Methyl perfluoro-3,6,9-trioxadecanoate 98%
| Molecular Formula | C8H3F13O5 |
|---|---|
| Molecular Weight | 425.98 g/mol |
| LogP | 3.693 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.9773 |
| Heavy Atoms | 26 |
| Complexity | 513.154 |
Chemical Identifiers
| CAS Number | 169289-58-1 |
|---|---|
| SMILES | COC(=O)C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
Product Overview
Methyl perfluoro-3,6,9-trioxadecanoate (CAS 169289-58-1), with molecular formula C8H3F13O5 and molecular weight 425.98 g/mol. IUPAC: methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]acetate.
Chemical Property Profile of Methyl perfluoro-3,6,9-trioxadecanoate
Property Insights of Methyl perfluoro-3,6,9-trioxadecanoate
The XLogP value of 3.693 indicates that Methyl perfluoro-3,6,9-trioxadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.99 Ų, Methyl perfluoro-3,6,9-trioxadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl perfluoro-3,6,9-trioxadecanoate has 0 hydrogen bond donor(s) and 5 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-3,6,9-trioxadecanoate?
The CAS number of Methyl perfluoro-3,6,9-trioxadecanoate is 169289-58-1.
What is the molecular formula of Methyl perfluoro-3,6,9-trioxadecanoate?
The molecular formula of Methyl perfluoro-3,6,9-trioxadecanoate is C8H3F13O5.
What is the molecular weight of Methyl perfluoro-3,6,9-trioxadecanoate?
The molecular weight of Methyl perfluoro-3,6,9-trioxadecanoate is 425.98 g/mol.
Where can I buy Methyl perfluoro-3,6,9-trioxadecanoate?
You can request a quote for Methyl perfluoro-3,6,9-trioxadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl perfluoro-3,6,9-trioxadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl perfluoro-3,6,9-trioxadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.