Trifluoroacetoxy hexadecane
TL;DR: Trifluoroacetoxy hexadecane (CAS 6222-03-3) is a chemical compound with molecular formula C18H33F3O2 and molecular weight 338.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl 2,2,2-trifluoroacetate
Also Known As: Trifluoroacetoxy hexadecane, Hexadecyl trifluoroacetate, 1-Trifluoroacetoxyhexadecane, hexadecyl 2,2,2-trifluoroacetate, 1-Hexadecanol, trifluoroacetate
| Molecular Formula | C18H33F3O2 |
|---|---|
| Molecular Weight | 338.24 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 338.24326 |
| Heavy Atoms | 23 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 6222-03-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C(F)(F)F |
| InChIKey | WAGHSYZLKZJUQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trifluoroacetoxy hexadecane (CAS 6222-03-3), with molecular formula C18H33F3O2 and molecular weight 338.24 g/mol. IUPAC: hexadecyl 2,2,2-trifluoroacetate.
Chemical Property Profile of Trifluoroacetoxy hexadecane
Property Insights of Trifluoroacetoxy hexadecane
The XLogP value of 8.9 indicates that Trifluoroacetoxy hexadecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Trifluoroacetoxy hexadecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoroacetoxy hexadecane has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trifluoroacetoxy hexadecane?
The CAS number of Trifluoroacetoxy hexadecane is 6222-03-3.
What is the molecular formula of Trifluoroacetoxy hexadecane?
The molecular formula of Trifluoroacetoxy hexadecane is C18H33F3O2.
What is the molecular weight of Trifluoroacetoxy hexadecane?
The molecular weight of Trifluoroacetoxy hexadecane is 338.24 g/mol.
Where can I buy Trifluoroacetoxy hexadecane?
You can request a quote for Trifluoroacetoxy hexadecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoroacetoxy hexadecane?
Yes, KEHONG BIO provides custom synthesis services for Trifluoroacetoxy hexadecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.