TL;DR: ((2,2',2''-Nitrilotris(ethanolato))(3-)-O,O',O'')(propan-2-olato)titanium (CAS 14483-21-7) is a chemical compound with molecular formula C9H19NO4Ti and molecular weight 253.07935 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(2-oxidoethyl)amino]ethanolate;propan-2-olate;titanium(4+)
Also Known As: Titanium(IV) (triethanolaminato)isopropoxide solution, [[2,2',2''-Nitrilotris[ethanolato]](3-)-O,O',o''](propan-2-olato)titanium, titanium(4+) 2,2',2''-nitrilotriethanolate propan-2-olate(1:1:1), ((2,2',2''-Nitrilotris(ethanolato))(3-)-O,O',O'')(propan-2-olato)titanium, 2-[bis(2-oxidoethyl)amino]ethanolate; propan-2-olate; titanium(4+)
| Molecular Formula | C9H19NO4Ti |
| Molecular Weight | 253.07935 g/mol |
| XLogP | -3.88 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.07935 Da |
| Heavy Atoms | 15 |
| Complexity | 66.0 |
| SMILES | CC(C)[O-].C(C[O-])N(CC[O-])CC[O-].[Ti+4] |
| InChIKey | RHSCRNFPYSMXQX-UHFFFAOYSA-N |
The XLogP value of -3.88 indicates that ((2,2',2''-Nitrilotris(ethanolato))(3-)-O,O',O'')(propan-2-olato)titanium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ((2,2',2''-Nitrilotris(ethanolato))(3-)-O,O',O'')(propan-2-olato)titanium. Following Lipinski's Rule of Five, ((2,2',2''-Nitrilotris(ethanolato))(3-)-O,O',O'')(propan-2-olato)titanium has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ((2,2',2''-Nitrilotris(ethanolato))(3-)-O,O',O'')(propan-2-olato)titanium is 14483-21-7.
The molecular formula of ((2,2',2''-Nitrilotris(ethanolato))(3-)-O,O',O'')(propan-2-olato)titanium is C9H19NO4Ti.
The molecular weight of ((2,2',2''-Nitrilotris(ethanolato))(3-)-O,O',O'')(propan-2-olato)titanium is 253.07935 g/mol.
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