1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane
TL;DR: 1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane (CAS 81267-91-6) is a chemical compound with molecular formula C8H8F12N4S4 and molecular weight 515.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5,7-tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane
Also Known As: 1,3,5,7-tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane, 1,3,5,7-tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocan, 1,3,5,7-Tetrakis[(trifluoromethyl)sulfanyl]-1,3,5,7-tetrazocane
| Molecular Formula | C8H8F12N4S4 |
|---|---|
| Molecular Weight | 515.94 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 4 |
| Exact Mass | 515.94403 |
| Heavy Atoms | 28 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 81267-91-6 |
|---|---|
| SMILES | C1N(CN(CN(CN1SC(F)(F)F)SC(F)(F)F)SC(F)(F)F)SC(F)(F)F |
| InChIKey | LPGLJOXNBZMWHE-UHFFFAOYSA-N |
Product Overview
1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane (CAS 81267-91-6), with molecular formula C8H8F12N4S4 and molecular weight 515.94 g/mol. IUPAC: 1,3,5,7-tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane.
Chemical Property Profile of 1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane
Property Insights of 1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane
The XLogP value of 7.1 indicates that 1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane. Following Lipinski's Rule of Five, 1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane has 0 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane?
The CAS number of 1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane is 81267-91-6.
What is the molecular formula of 1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane?
The molecular formula of 1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane is C8H8F12N4S4.
What is the molecular weight of 1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane?
The molecular weight of 1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane is 515.94 g/mol.
Where can I buy 1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane?
You can request a quote for 1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.