TL;DR: 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)- (CAS 135587-17-6) is a chemical compound with molecular formula C16H15F17INO3Si and molecular weight 746.9595 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Also Known As: 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)-, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-iododecyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 2,8,9-TRIOXA-5-AZA-1-SILABICYCLO[3.3.3]UNDECANE,1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-HEPTADECAFLUORO-1-IODODECYL)-, 5-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane, 1-(1-Iodo-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
| Molecular Formula | C16H15F17INO3Si |
| Molecular Weight | 746.9595 g/mol |
| XLogP | 6.0466 |
| Topological Polar Surface Area (TPSA) | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 9 |
| Exact Mass | 746.9595 Da |
| Heavy Atoms | 39 |
| Complexity | 860.0 |
| SMILES | C1CO[Si]2(OCCN1CCO2)C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I |
| InChIKey | AENHPCRNEPBZQL-UHFFFAOYSA-N |
The XLogP value of 6.0466 indicates that 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.9 Ų, 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)- has 0 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)- is 135587-17-6.
The molecular formula of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)- is C16H15F17INO3Si.
The molecular weight of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)- is 746.9595 g/mol.
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