TL;DR: Quinoline, 2-((1H-imidazo(4,5-b)pyridin-2-ylsulfinyl)methyl)- (CAS 123823-92-7) is a chemical compound with molecular formula C16H12N4OS and molecular weight 308.07318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)quinoline
Also Known As: 2-(2'-Quinolylmethylsulfinyl)imidazo(4,5-b)pyridine, Quinoline, 2-((1H-imidazo(4,5-b)pyridin-2-ylsulfinyl)methyl)-, 2-((1H-Imidazo(4,5-b)pyridin-2-ylsulfinyl)methyl)quinoline, 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)quinoline, 2-[(3H-Imidazo[4,5-b]pyridine-2-sulfinyl)methyl]quinoline
| Molecular Formula | C16H12N4OS |
| Molecular Weight | 308.07318 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.07318 Da |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)CS(=O)C3=NC4=C(N3)C=CC=N4 |
| InChIKey | DVBJGGOFMSJLBY-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinoline, 2-((1H-imidazo(4,5-b)pyridin-2-ylsulfinyl)methyl)-. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinoline, 2-((1H-imidazo(4,5-b)pyridin-2-ylsulfinyl)methyl)-. Following Lipinski's Rule of Five, Quinoline, 2-((1H-imidazo(4,5-b)pyridin-2-ylsulfinyl)methyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Quinoline, 2-((1H-imidazo(4,5-b)pyridin-2-ylsulfinyl)methyl)- is 123823-92-7.
The molecular formula of Quinoline, 2-((1H-imidazo(4,5-b)pyridin-2-ylsulfinyl)methyl)- is C16H12N4OS.
The molecular weight of Quinoline, 2-((1H-imidazo(4,5-b)pyridin-2-ylsulfinyl)methyl)- is 308.07318 g/mol.
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