TL;DR: Titanium, (2-(hydroxy-kappaO)acetato(2-)-kappaO)bis(isooctadecanoato-kappaO)- (CAS 63742-74-5) is a chemical compound with molecular formula C38H76O7Ti and molecular weight 692.507 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxyacetic acid;bis(16-methylheptadecanoic acid);titanium
Also Known As: Diisostearoyl glycolyl titanate, (Hydroxyacetato(2-)-O1,O2)bis(isooctadecanoato-O)titanium, Titanium, ((hydroxy-kappaO)acetato(2-)-kappaO)bis(isooctadecanoato-kappaO)-, Titanium, (2-(hydroxy-kappaO)acetato(2-)-kappaO)bis(isooctadecanoato-kappaO)-, Titanium, [2-(hydroxy-.kappa.O)acetato(2-)-.kappa.O]bis(isooctadecanoato-.kappa.O)-
| Molecular Formula | C38H76O7Ti |
| Molecular Weight | 692.507 g/mol |
| XLogP | 11.44 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 30 |
| Exact Mass | 692.507 Da |
| Heavy Atoms | 46 |
| Complexity | 580.0 |
| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.C(C(=O)O)O.[Ti] |
| InChIKey | WHABJRSDADZMLY-UHFFFAOYSA-N |
The XLogP value of 11.44 indicates that Titanium, (2-(hydroxy-kappaO)acetato(2-)-kappaO)bis(isooctadecanoato-kappaO)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Titanium, (2-(hydroxy-kappaO)acetato(2-)-kappaO)bis(isooctadecanoato-kappaO)-. Following Lipinski's Rule of Five, Titanium, (2-(hydroxy-kappaO)acetato(2-)-kappaO)bis(isooctadecanoato-kappaO)- has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Titanium, (2-(hydroxy-kappaO)acetato(2-)-kappaO)bis(isooctadecanoato-kappaO)- is 63742-74-5.
The molecular formula of Titanium, (2-(hydroxy-kappaO)acetato(2-)-kappaO)bis(isooctadecanoato-kappaO)- is C38H76O7Ti.
The molecular weight of Titanium, (2-(hydroxy-kappaO)acetato(2-)-kappaO)bis(isooctadecanoato-kappaO)- is 692.507 g/mol.
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