TL;DR: Di-2-aminobenzoyl ethylene titanate (CAS 63861-55-2) is a chemical compound with molecular formula C16H20N2O6Ti and molecular weight 384.08008 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-aminobenzoic acid);ethane-1,2-diol;titanium
Also Known As: Di-2-aminobenzoyl ethylene titanate, Titanium, bis(2-(amino-kappaN)benzoato-kappaO)(1,2-ethanediolato(2-)-kappaO,kappaO')-, Titanium, bis(2-(amino-kappaN)benzoato-kappaO)(1,2-ethanediolato(2-)-kappaO1,kappaO2)-, Bis(anthranilato-N,O)(ethane-1,2-diolato(2-)-O,O')titanium, Bis(anthranilato-N,O)[ethane-1,2-diolato(2-)-O,O']titanium
| Molecular Formula | C16H20N2O6Ti |
| Molecular Weight | 384.08008 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.08008 Da |
| Heavy Atoms | 25 |
| Complexity | 339.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)N.C1=CC=C(C(=C1)C(=O)O)N.C(CO)O.[Ti] |
| InChIKey | ZYVNVMKTKYGDOW-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di-2-aminobenzoyl ethylene titanate. The TPSA of 167.0 Ų indicates high polarity, suggesting Di-2-aminobenzoyl ethylene titanate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Di-2-aminobenzoyl ethylene titanate has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Di-2-aminobenzoyl ethylene titanate is 63861-55-2.
The molecular formula of Di-2-aminobenzoyl ethylene titanate is C16H20N2O6Ti.
The molecular weight of Di-2-aminobenzoyl ethylene titanate is 384.08008 g/mol.
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