TL;DR: 1-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulfonyl)piperazin-1-yl]hexan-1-one (CAS 113584-36-4) is a chemical compound with molecular formula C18H19F17N2O3S and molecular weight 666.0845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)piperazin-1-yl]hexan-1-one
Also Known As: 1-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulfonyl)piperazin-1-yl]hexan-1-one, 1-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)piperazin-1-yl]hexan-1-one
| Molecular Formula | C18H19F17N2O3S |
| Molecular Weight | 666.0845 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 12 |
| Exact Mass | 666.0845 Da |
| Heavy Atoms | 41 |
| Complexity | 1050.0 |
| SMILES | CCCCCC(=O)N1CCN(CC1)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | OWZFIVLIZBBEEO-UHFFFAOYSA-N |
The XLogP value of 6.6 indicates that 1-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulfonyl)piperazin-1-yl]hexan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulfonyl)piperazin-1-yl]hexan-1-one. Following Lipinski's Rule of Five, 1-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulfonyl)piperazin-1-yl]hexan-1-one has 0 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulfonyl)piperazin-1-yl]hexan-1-one is 113584-36-4.
The molecular formula of 1-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulfonyl)piperazin-1-yl]hexan-1-one is C18H19F17N2O3S.
The molecular weight of 1-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulfonyl)piperazin-1-yl]hexan-1-one is 666.0845 g/mol.
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