TL;DR: Titanium, tris(6-aminohexanoato-kappaO)(2-propanolato)-, (T-4)- (CAS 68443-51-6) is a chemical compound with molecular formula C21H47N3O7Ti and molecular weight 501.28934 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tris(6-aminohexanoic acid);propan-2-ol;titanium
Also Known As: Isopropyl tri(6-aminocaproyl) titanate, Tris(6-aminohexanoato-O)(propan-2-olato)titanium, Titanium, tris(6-aminohexanoato-kappaO)(2-propanolato)-, (T-4)-, Titanium, tris(6-aminohexanoato-.kappa.O)(2-propanolato)-, (T-4)-, EINECS 270-530-7
| Molecular Formula | C21H47N3O7Ti |
| Molecular Weight | 501.28934 g/mol |
| XLogP | 2.15 |
| Topological Polar Surface Area (TPSA) | 210.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 501.28934 Da |
| Heavy Atoms | 32 |
| Complexity | 349.0 |
| SMILES | CC(C)O.C(CCC(=O)O)CCN.C(CCC(=O)O)CCN.C(CCC(=O)O)CCN.[Ti] |
| InChIKey | YWICBDKQDBLMON-UHFFFAOYSA-N |
The XLogP value of 2.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Titanium, tris(6-aminohexanoato-kappaO)(2-propanolato)-, (T-4)-. The TPSA of 210.0 Ų indicates high polarity, suggesting Titanium, tris(6-aminohexanoato-kappaO)(2-propanolato)-, (T-4)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Titanium, tris(6-aminohexanoato-kappaO)(2-propanolato)-, (T-4)- has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Titanium, tris(6-aminohexanoato-kappaO)(2-propanolato)-, (T-4)- is 68443-51-6.
The molecular formula of Titanium, tris(6-aminohexanoato-kappaO)(2-propanolato)-, (T-4)- is C21H47N3O7Ti.
The molecular weight of Titanium, tris(6-aminohexanoato-kappaO)(2-propanolato)-, (T-4)- is 501.28934 g/mol.
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