Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate
TL;DR: Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate (CAS 39187-47-8) is a chemical compound with molecular formula C13H3F23O5 and molecular weight 675.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propanoate
Also Known As: HFPO tetramer, methyl ester, Perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoic acid, methyl ester, 2355AE, perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoic acid methyl ester, methyl perfluoro(2,5,8-trimethyl-3,6,9-trioxadodecanoate)
| Molecular Formula | C13H3F23O5 |
|---|---|
| Molecular Weight | 675.96 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 11 |
| Exact Mass | 675.9613 |
| Heavy Atoms | 41 |
| Complexity | 948.0 |
Chemical Identifiers
| CAS Number | 39187-47-8 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F |
| InChIKey | POFXNOHVAKKASZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate (CAS 39187-47-8), with molecular formula C13H3F23O5 and molecular weight 675.96 g/mol. IUPAC: methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propanoate.
Chemical Property Profile of Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate
Property Insights of Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate
The XLogP value of 8.1 indicates that Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate has 0 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate?
The CAS number of Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate is 39187-47-8.
What is the molecular formula of Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate?
The molecular formula of Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate is C13H3F23O5.
What is the molecular weight of Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate?
The molecular weight of Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate is 675.96 g/mol.
Where can I buy Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate?
You can request a quote for Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.