TL;DR: N-Acetyl-S-(5,8-dimethoxy-2-methyl-4-quinolinyl)cysteine (CAS 1009729-61-6) is a chemical compound with molecular formula C17H20N2O5S and molecular weight 364.10928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetamido-3-(5,8-dimethoxy-2-methylquinolin-4-yl)sulfanylpropanoic acid
Also Known As: N-Acetyl-S-(5,8-dimethoxy-2-methyl-4-quinolinyl)cysteine, N-Acetyl-S-(5,8-dimethoxy-2-methylquinolin-4-yl)cysteine, 2-acetamido-3-(5,8-dimethoxy-2-methylquinolin-4-yl)sulfanylpropanoic acid, 2-acetamido-3-(5,8-dimethoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoic Acid
| Molecular Formula | C17H20N2O5S |
| Molecular Weight | 364.10928 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.10928 Da |
| Heavy Atoms | 25 |
| Complexity | 478.0 |
| SMILES | CC1=NC2=C(C=CC(=C2C(=C1)SCC(C(=O)O)NC(=O)C)OC)OC |
| InChIKey | UCXYSNISEUSVRY-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-S-(5,8-dimethoxy-2-methyl-4-quinolinyl)cysteine. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyl-S-(5,8-dimethoxy-2-methyl-4-quinolinyl)cysteine. Following Lipinski's Rule of Five, N-Acetyl-S-(5,8-dimethoxy-2-methyl-4-quinolinyl)cysteine has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-Acetyl-S-(5,8-dimethoxy-2-methyl-4-quinolinyl)cysteine is 1009729-61-6.
The molecular formula of N-Acetyl-S-(5,8-dimethoxy-2-methyl-4-quinolinyl)cysteine is C17H20N2O5S.
The molecular weight of N-Acetyl-S-(5,8-dimethoxy-2-methyl-4-quinolinyl)cysteine is 364.10928 g/mol.
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