TL;DR: 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, magnesium complex (CAS 132517-86-3) is a chemical compound with molecular formula C16H24Cl2K2MgN2O8 and molecular weight 544.0034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
magnesium;dipotassium;bis([5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methanolate);dichloride;dihydrate
Also Known As: 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, magnesium complex, Magnesium, dichlorobis(5-hydroxy-6-methyl-3,4-pyridinedimethanol-N1)-, dipotassium salt, dihydrate, (T-4)-, magnesium dipotassium [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methanolate dichloride dihydrate, Magnesium potassium 4-(hydroxymethyl)-2-methyl-5-(oxidomethyl)pyridin-3-olate--hydrogen chloride--water (1/2/2/2/2)
| Molecular Formula | C16H24Cl2K2MgN2O8 |
| Molecular Weight | 544.0034 g/mol |
| XLogP | -15.11776 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 544.0034 Da |
| Heavy Atoms | 31 |
| Complexity | 142.0 |
| SMILES | CC1=NC=C(C(=C1O)CO)C[O-].CC1=NC=C(C(=C1O)CO)C[O-].O.O.[Mg+2].[Cl-].[Cl-].[K+].[K+] |
| InChIKey | SWSRQKZXWRGGNY-UHFFFAOYSA-L |
The XLogP value of -15.11776 indicates that 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, magnesium complex is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, magnesium complex may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, magnesium complex has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, magnesium complex is 132517-86-3.
The molecular formula of 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, magnesium complex is C16H24Cl2K2MgN2O8.
The molecular weight of 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, magnesium complex is 544.0034 g/mol.
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