Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
TL;DR: Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (CAS 36839-96-0) is a chemical compound with molecular formula C12H13F9O3S and molecular weight 408.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Also Known As: [(1E)-cycloocten-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-|cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
| Molecular Formula | C12H13F9O3S |
|---|---|
| Molecular Weight | 408.04 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.04416 |
| Heavy Atoms | 25 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 36839-96-0 |
|---|---|
| SMILES | C1CCCC(=CCC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | HLIGCACEVBSZEY-UHFFFAOYSA-N |
Product Overview
Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (CAS 36839-96-0), with molecular formula C12H13F9O3S and molecular weight 408.04 g/mol. IUPAC: cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.
Chemical Property Profile of Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Property Insights of Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
The XLogP value of 5.8 indicates that Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The CAS number of Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is 36839-96-0.
What is the molecular formula of Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The molecular formula of Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is C12H13F9O3S.
What is the molecular weight of Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The molecular weight of Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is 408.04 g/mol.
Where can I buy Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
You can request a quote for Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for Cycloocten-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.