TL;DR: Silicon, ((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooctyl)-, (TB-5-23)- (CAS 135829-02-6) is a chemical compound with molecular formula C14H15F13INO3Si and molecular weight 646.9658 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(2-oxidoethyl)amino]ethanolate;silicon(4+);1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane
Also Known As: Silicon, ((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooctyl)-, (TB-5-23)-, 2-[bis(2-oxidoethyl)amino]ethanolate; silicon(4+); 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane
| Molecular Formula | C14H15F13INO3Si |
| Molecular Weight | 646.9658 g/mol |
| XLogP | 1.70059 |
| Topological Polar Surface Area (TPSA) | 72.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 646.9658 Da |
| Heavy Atoms | 33 |
| Complexity | 451.0 |
| SMILES | C(C[O-])N(CC[O-])CC[O-].C([CH-]I)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[Si+4] |
| InChIKey | HXGWVGUZZOFVCV-UHFFFAOYSA-N |
The XLogP value of 1.70059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Silicon, ((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooctyl)-, (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'')(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooctyl)-, (TB-5-23)-. Following Lipinski's Rule of Five, Silicon, ((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooctyl)-, (TB-5-23)- has 0 hydrogen bond donor(s) and 18 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'')(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooctyl)-, (TB-5-23)- is 135829-02-6.
The molecular formula of Silicon, ((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooctyl)-, (TB-5-23)- is C14H15F13INO3Si.
The molecular weight of Silicon, ((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooctyl)-, (TB-5-23)- is 646.9658 g/mol.
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