Hexyl perfluorohexanoate
TL;DR: Hexyl perfluorohexanoate (CAS 2261-09-8) is a chemical compound with molecular formula C12H13F11O2 and molecular weight 398.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate
Also Known As: Hexyl perfluorohexanoate, Hexyl undecafluorohexanoate, Hexanoic acid, undecafluoro-, hexyl ester, hexyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate, Benzothiophene, 5-chloro-3-methyl-2-(2-phenyl-4-thiazolyl)-
| Molecular Formula | C12H13F11O2 |
|---|---|
| Molecular Weight | 398.07 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 398.07397 |
| Heavy Atoms | 25 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 2261-09-8 |
|---|---|
| SMILES | CCCCCCOC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | TXJKATBVTOHLTD-UHFFFAOYSA-N |
Product Overview
Hexyl perfluorohexanoate (CAS 2261-09-8), with molecular formula C12H13F11O2 and molecular weight 398.07 g/mol. IUPAC: hexyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate.
Chemical Property Profile of Hexyl perfluorohexanoate
Property Insights of Hexyl perfluorohexanoate
The XLogP value of 6.3 indicates that Hexyl perfluorohexanoate 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 perfluorohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl perfluorohexanoate has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexyl perfluorohexanoate?
The CAS number of Hexyl perfluorohexanoate is 2261-09-8.
What is the molecular formula of Hexyl perfluorohexanoate?
The molecular formula of Hexyl perfluorohexanoate is C12H13F11O2.
What is the molecular weight of Hexyl perfluorohexanoate?
The molecular weight of Hexyl perfluorohexanoate is 398.07 g/mol.
Where can I buy Hexyl perfluorohexanoate?
You can request a quote for Hexyl perfluorohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl perfluorohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl perfluorohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.