TL;DR: RefChem:898353 (CAS 63861-56-3) is a chemical compound with molecular formula C16H16O7Ti and molecular weight 368.03754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxyacetic acid;bis(2-hydroxybenzaldehyde);titanium
Also Known As: Di(2-formylphenyl) glycolyl titanate, (Hydroxyacetato(2-)-O1,O2)bis(salicylaldehydato-O,O')titanium, Titanium, ((hydroxy-kappaO)acetato(2-)-kappaO)bis(2-(hydroxy-kappaO)benzaldehydato-kappaO)-, Titanium, (2-(hydroxy-kappaO)acetato(2-)-kappaO)bis(2-(hydroxy-kappaO)benzaldehydato-kappaO)-, Titanium, [2-(hydroxy-.kappa.O)acetato(2-)-.kappa.O]bis[2-(hydroxy-.kappa.O)benzaldehydato-.kappa.O]-
| Molecular Formula | C16H16O7Ti |
| Molecular Weight | 368.03754 g/mol |
| XLogP | 1.47 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.03754 Da |
| Heavy Atoms | 24 |
| Complexity | 325.0 |
| SMILES | C1=CC=C(C(=C1)C=O)O.C1=CC=C(C(=C1)C=O)O.C(C(=O)O)O.[Ti] |
| InChIKey | FQCFWAZUKDARJN-UHFFFAOYSA-N |
The XLogP value of 1.47 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:898353. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:898353. Following Lipinski's Rule of Five, RefChem:898353 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:898353 is 63861-56-3.
The molecular formula of RefChem:898353 is C16H16O7Ti.
The molecular weight of RefChem:898353 is 368.03754 g/mol.
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