TL;DR: Barium zirconium oxide (CAS 12777-43-4) is a chemical compound with molecular formula BaO3Zr and molecular weight 275.79468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
barium(2+);tris(oxygen(2-));zirconium(4+)
Also Known As: Barium zirconate, Barium zirconium trioxide, Barium zirconium oxide, 2,4-Dimethoxyphenol, Barium zirconium(IV) oxide
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | BaO3Zr |
| Molecular Weight | 275.79468 g/mol |
| XLogP | -0.7397 |
| Topological Polar Surface Area (TPSA) | 3.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 275.79468 Da |
| Heavy Atoms | 5 |
| Complexity | 0.0 |
| SMILES | [O-2].[O-2].[O-2].[Zr+4].[Ba+2] |
| InChIKey | QLFKDQYBEKOEOT-UHFFFAOYSA-N |
The XLogP value of -0.7397 indicates that Barium zirconium oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 3.0 Ų, Barium zirconium oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barium zirconium oxide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Barium zirconium oxide is 12777-43-4.
The molecular formula of Barium zirconium oxide is BaO3Zr.
The molecular weight of Barium zirconium oxide is 275.79468 g/mol.
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