TL;DR: Phillipsite ((K0-1Na0-1Ca0-0.5)4-7(Al4-7Si9-12O32).12H2O) (CAS 12174-18-4) is a chemical compound with molecular formula AlCaH26KNaO18Si2-2 and molecular weight 498.96338 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: Phillipsite, Phillipsite (VAN), Phillipsite ((K0-1Na0-1Ca0-0.5)4-7(Al4-7Si9-12O32).12H2O), aluminum,calcium,oxido-[oxido(oxo)silyl]oxy-oxosilane,potassium,sodium,tridecahydrate, aluminum; calcium; oxido-[oxido(oxo)silyl]oxy-oxosilane; potassium; sodium; tridecahydrate
| Molecular Formula | AlCaH26KNaO18Si2-2 |
| Molecular Weight | 498.96338 g/mol |
| XLogP | -15.6899 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 0 |
| Exact Mass | 498.96338 Da |
| Heavy Atoms | 24 |
| Complexity | 71.0 |
| SMILES | O.O.O.O.O.O.O.O.O.O.O.O.O.[O-][Si](=O)O[Si](=O)[O-].[Na].[Al].[K].[Ca] |
| InChIKey | JEWHCPOELGJVCB-UHFFFAOYSA-N |
The XLogP value of -15.6899 indicates that Phillipsite ((K0-1Na0-1Ca0-0.5)4-7(Al4-7Si9-12O32).12H2O) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phillipsite ((K0-1Na0-1Ca0-0.5)4-7(Al4-7Si9-12O32).12H2O). Following Lipinski's Rule of Five, Phillipsite ((K0-1Na0-1Ca0-0.5)4-7(Al4-7Si9-12O32).12H2O) has 13 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Phillipsite ((K0-1Na0-1Ca0-0.5)4-7(Al4-7Si9-12O32).12H2O) is 12174-18-4.
The molecular formula of Phillipsite ((K0-1Na0-1Ca0-0.5)4-7(Al4-7Si9-12O32).12H2O) is AlCaH26KNaO18Si2-2.
The molecular weight of Phillipsite ((K0-1Na0-1Ca0-0.5)4-7(Al4-7Si9-12O32).12H2O) is 498.96338 g/mol.
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