TL;DR: Silicon, ((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')(3,3,4,4,5,5,6,6,6-nonafluoro-1-iodohexyl)-, (TB-5-23)- (CAS 135798-15-1) is a chemical compound with molecular formula C12H15F9INO3Si and molecular weight 546.9722 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(2-oxidoethyl)amino]ethanolate;1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane;silicon(4+)
Also Known As: Silicon, ((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')(3,3,4,4,5,5,6,6,6-nonafluoro-1-iodohexyl)-, (TB-5-23)-, 2-[bis(2-oxidoethyl)amino]ethanolate; 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane; silicon(4+)
| Molecular Formula | C12H15F9INO3Si |
| Molecular Weight | 546.9722 g/mol |
| XLogP | 0.42999 |
| Topological Polar Surface Area (TPSA) | 72.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 546.9722 Da |
| Heavy Atoms | 27 |
| Complexity | 299.0 |
| SMILES | C(C[O-])N(CC[O-])CC[O-].C([CH-]I)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[Si+4] |
| InChIKey | DMTZKRSEUAZIEW-UHFFFAOYSA-N |
The XLogP value of 0.42999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Silicon, ((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')(3,3,4,4,5,5,6,6,6-nonafluoro-1-iodohexyl)-, (TB-5-23)-. The TPSA of 72.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Silicon, ((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')(3,3,4,4,5,5,6,6,6-nonafluoro-1-iodohexyl)-, (TB-5-23)-. Following Lipinski's Rule of Five, Silicon, ((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')(3,3,4,4,5,5,6,6,6-nonafluoro-1-iodohexyl)-, (TB-5-23)- has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Silicon, ((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')(3,3,4,4,5,5,6,6,6-nonafluoro-1-iodohexyl)-, (TB-5-23)- is 135798-15-1.
The molecular formula of Silicon, ((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')(3,3,4,4,5,5,6,6,6-nonafluoro-1-iodohexyl)-, (TB-5-23)- is C12H15F9INO3Si.
The molecular weight of Silicon, ((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')(3,3,4,4,5,5,6,6,6-nonafluoro-1-iodohexyl)-, (TB-5-23)- is 546.9722 g/mol.
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