Hexyl perfluoroheptanoate
TL;DR: Hexyl perfluoroheptanoate (CAS 97142-48-8) is a chemical compound with molecular formula C13H13F13O2 and molecular weight 448.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
Also Known As: Hexyl perfluoroheptanoate, Hexyl tridecafluoroheptanoate, Heptanoic acid, tridecafluoro-, hexyl ester, hexyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate, But-2-enamide, 2-hydroxy-4-oxo-4-phenyl-N-(3-amino-2-pyridyl)-
| Molecular Formula | C13H13F13O2 |
|---|---|
| Molecular Weight | 448.07 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 448.0708 |
| Heavy Atoms | 28 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 97142-48-8 |
|---|---|
| SMILES | CCCCCCOC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | QKPNKAOZGCFPBZ-UHFFFAOYSA-N |
Product Overview
Hexyl perfluoroheptanoate (CAS 97142-48-8), with molecular formula C13H13F13O2 and molecular weight 448.07 g/mol. IUPAC: hexyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate.
Chemical Property Profile of Hexyl perfluoroheptanoate
Property Insights of Hexyl perfluoroheptanoate
The XLogP value of 6.9 indicates that Hexyl perfluoroheptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl perfluoroheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl perfluoroheptanoate has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexyl perfluoroheptanoate?
The CAS number of Hexyl perfluoroheptanoate is 97142-48-8.
What is the molecular formula of Hexyl perfluoroheptanoate?
The molecular formula of Hexyl perfluoroheptanoate is C13H13F13O2.
What is the molecular weight of Hexyl perfluoroheptanoate?
The molecular weight of Hexyl perfluoroheptanoate is 448.07 g/mol.
Where can I buy Hexyl perfluoroheptanoate?
You can request a quote for Hexyl perfluoroheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl perfluoroheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl perfluoroheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.