Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester
TL;DR: Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester (CAS 26131-32-8) is a chemical compound with molecular formula C10H3F17O4 and molecular weight 509.98 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-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
Also Known As: Alibendol, Methyl 2,3,3,3-tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(perfluoropropoxy)propoxy)propanoate, Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester, 2242AB, Methyl perfluoro-2,5-dimethyl-3,6-dioxanonanoate
| Molecular Formula | C10H3F17O4 |
|---|---|
| Molecular Weight | 509.98 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 8 |
| Exact Mass | 509.97598 |
| Heavy Atoms | 31 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 26131-32-8 |
|---|---|
| SMILES | COC(=O)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 |
| InChIKey | UMADKHFVSXRTGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester (CAS 26131-32-8), with molecular formula C10H3F17O4 and molecular weight 509.98 g/mol. IUPAC: methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate.
Chemical Property Profile of Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester
Property Insights of Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester
The XLogP value of 6.0 indicates that Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester has 0 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester?
The CAS number of Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester is 26131-32-8.
What is the molecular formula of Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester?
The molecular formula of Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester is C10H3F17O4.
What is the molecular weight of Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester?
The molecular weight of Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester is 509.98 g/mol.
Where can I buy Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester?
You can request a quote for Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.