Hexadecyl heptafluorobutanoate
TL;DR: Hexadecyl heptafluorobutanoate (CAS 6385-15-5) 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.
hexadecyl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: Hexadecyl heptafluorobutanoate, 1-Hexadecanol, HFB, Hexadecyl perfluorobutanoate, Heptafluorobutyric acid hexadecyl ester, Heptafluorobutyric acid, hexadecyl ester
| Molecular Formula | C20H33F7O2 |
|---|---|
| Molecular Weight | 438.24 g/mol |
| LogP | 10.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 438.23688 |
| Heavy Atoms | 29 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 6385-15-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | HXCITEKMLXXCSM-UHFFFAOYSA-N |
Product Overview
Hexadecyl heptafluorobutanoate (CAS 6385-15-5), with molecular formula C20H33F7O2 and molecular weight 438.24 g/mol. IUPAC: hexadecyl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Hexadecyl heptafluorobutanoate
Property Insights of Hexadecyl heptafluorobutanoate
The XLogP value of 10.3 indicates that Hexadecyl heptafluorobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexadecyl heptafluorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyl heptafluorobutanoate 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 Hexadecyl heptafluorobutanoate?
The CAS number of Hexadecyl heptafluorobutanoate is 6385-15-5.
What is the molecular formula of Hexadecyl heptafluorobutanoate?
The molecular formula of Hexadecyl heptafluorobutanoate is C20H33F7O2.
What is the molecular weight of Hexadecyl heptafluorobutanoate?
The molecular weight of Hexadecyl heptafluorobutanoate is 438.24 g/mol.
Where can I buy Hexadecyl heptafluorobutanoate?
You can request a quote for Hexadecyl heptafluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl heptafluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl heptafluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.