Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate
TL;DR: Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate (CAS 400-57-7) is a chemical compound with molecular formula C22H37F7O2 and molecular weight 466.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: Octadecyl perfluorobutyrate, Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate, Octadecyl heptafluorobutyrate, OCTADECYL HEPTAFLUOROBUTANOATE, 1-Octadecanol, heptafluorobutyrate
| Molecular Formula | C22H37F7O2 |
|---|---|
| Molecular Weight | 466.27 g/mol |
| LogP | 11.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 466.2682 |
| Heavy Atoms | 31 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 400-57-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | ABJHYFXBHBSPMK-UHFFFAOYSA-N |
Product Overview
Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate (CAS 400-57-7), with molecular formula C22H37F7O2 and molecular weight 466.27 g/mol. IUPAC: octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate
Property Insights of Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate
The XLogP value of 11.4 indicates that Octadecyl 2,2,3,3,4,4,4-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, Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl 2,2,3,3,4,4,4-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 Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The CAS number of Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate is 400-57-7.
What is the molecular formula of Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The molecular formula of Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate is C22H37F7O2.
What is the molecular weight of Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The molecular weight of Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate is 466.27 g/mol.
Where can I buy Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate?
You can request a quote for Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.