TL;DR: Pyridinium, 2-(((2-hydroxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride (CAS 124473-31-0) is a chemical compound with molecular formula C24H30ClN3O3S2 and molecular weight 507.14172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[(2-hydroxyethyldisulfanyl)methyl]-4-methoxy-3-methylpyridin-1-ium-1-yl]-5,5,7,7-tetramethyl-3H-cyclopenta[f]benzimidazol-6-one chloride
Also Known As: Pyridinium, 2-(((2-hydroxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, Pyridinium,2-[[(2-hydroxyethyl)dithio]methyl]-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno[5,6-d]imidazol-2-yl)-,chloride (1:1), [2-{[(2-Hydroxyethyl)disulfanyl]methyl}-3-methyl-1-(5,5,7,7-tetramethyl-6-oxo-1,5,6,7-tetrahydroindeno[5,6-d]imidazol-2-yl)pyridin-4(1H)-ylidene](methyl)oxidanium chloride, 2-[2-[(2-hydroxyethyldisulfanyl)methyl]-4-methoxy-3-methylpyridin-1-ium-1-yl]-5,5,7,7-tetramethyl-3H-cyclopenta[f]benzimidazol-6-one chloride
| Molecular Formula | C24H30ClN3O3S2 |
| Molecular Weight | 507.14172 g/mol |
| XLogP | 1.17222 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.14172 Da |
| Heavy Atoms | 33 |
| Complexity | 691.0 |
| SMILES | CC1=C(C=C[N+](=C1CSSCCO)C2=NC3=C(N2)C=C4C(=C3)C(C(=O)C4(C)C)(C)C)OC.[Cl-] |
| InChIKey | RZUKEWKLVDAGJK-UHFFFAOYSA-M |
The XLogP value of 1.17222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 2-(((2-hydroxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinium, 2-(((2-hydroxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride. Following Lipinski's Rule of Five, Pyridinium, 2-(((2-hydroxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pyridinium, 2-(((2-hydroxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride is 124473-31-0.
The molecular formula of Pyridinium, 2-(((2-hydroxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride is C24H30ClN3O3S2.
The molecular weight of Pyridinium, 2-(((2-hydroxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride is 507.14172 g/mol.
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