4-Heptafluorobutyryloxyhexadecane
TL;DR: 4-Heptafluorobutyryloxyhexadecane (CAS 959062-04-5) is a chemical compound with molecular formula C20H33F7O2 and molecular weight 438.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecan-4-yl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: 4-Heptafluorobutyryloxyhexadecane, Hexadecan-4-yl heptafluorobutanoate, Heptafluorobutanoic acid, 4-hexadecyl ester, hexadecan-4-yl 2,2,3,3,4,4,4-heptafluorobutanoate
| Molecular Formula | C20H33F7O2 |
|---|---|
| Molecular Weight | 438.24 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 438.23688 |
| Heavy Atoms | 29 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 959062-04-5 |
|---|---|
| SMILES | CCCCCCCCCCCCC(CCC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | XKNWOOPYRXMIGS-UHFFFAOYSA-N |
Product Overview
4-Heptafluorobutyryloxyhexadecane (CAS 959062-04-5), with molecular formula C20H33F7O2 and molecular weight 438.24 g/mol. IUPAC: hexadecan-4-yl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of 4-Heptafluorobutyryloxyhexadecane
Property Insights of 4-Heptafluorobutyryloxyhexadecane
The XLogP value of 10.0 indicates that 4-Heptafluorobutyryloxyhexadecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Heptafluorobutyryloxyhexadecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptafluorobutyryloxyhexadecane has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Heptafluorobutyryloxyhexadecane?
The CAS number of 4-Heptafluorobutyryloxyhexadecane is 959062-04-5.
What is the molecular formula of 4-Heptafluorobutyryloxyhexadecane?
The molecular formula of 4-Heptafluorobutyryloxyhexadecane is C20H33F7O2.
What is the molecular weight of 4-Heptafluorobutyryloxyhexadecane?
The molecular weight of 4-Heptafluorobutyryloxyhexadecane is 438.24 g/mol.
Where can I buy 4-Heptafluorobutyryloxyhexadecane?
You can request a quote for 4-Heptafluorobutyryloxyhexadecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptafluorobutyryloxyhexadecane?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptafluorobutyryloxyhexadecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.