2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate
TL;DR: 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate (CAS 18770-62-2) is a chemical compound with molecular formula C15H18F12O2 and molecular weight 458.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl octanoate
Also Known As: 1,1,7-Trihydroperfluoroheptyl octanoate, 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate, Octanoic acid 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester, Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester, 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate #
| Molecular Formula | C15H18F12O2 |
|---|---|
| Molecular Weight | 458.11 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 458.1115 |
| Heavy Atoms | 29 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 18770-62-2 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | ZBQGYLOCTOSSHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate (CAS 18770-62-2), with molecular formula C15H18F12O2 and molecular weight 458.11 g/mol. IUPAC: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl octanoate.
Chemical Property Profile of 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate
Property Insights of 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate
The XLogP value of 7.3 indicates that 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate?
The CAS number of 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate is 18770-62-2.
What is the molecular formula of 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate?
The molecular formula of 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate is C15H18F12O2.
What is the molecular weight of 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate?
The molecular weight of 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate is 458.11 g/mol.
Where can I buy 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate?
You can request a quote for 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.