TL;DR: 2-Quinolinecarboxylic acid, 5,7-dichloro-4-mercapto- (CAS 135025-62-6) is a chemical compound with molecular formula C10H5Cl2NO2S and molecular weight 272.9418 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,7-dichloro-4-sulfanylidene-1H-quinoline-2-carboxylic acid
Also Known As: KBio2_003513, KBio2_000945, KBio2_006081, 2-Quinolinecarboxylic acid, 5,7-dichloro-4-mercapto-, 5,7-dichloro-4-sulfanylidene-1H-quinoline-2-carboxylic acid
| Molecular Formula | C10H5Cl2NO2S |
| Molecular Weight | 272.9418 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.9418 Da |
| Heavy Atoms | 16 |
| Complexity | 372.0 |
| SMILES | C1=C(C=C(C2=C1NC(=CC2=S)C(=O)O)Cl)Cl |
| InChIKey | VLQYTLDPTKGSLW-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2-Quinolinecarboxylic acid, 5,7-dichloro-4-mercapto- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Quinolinecarboxylic acid, 5,7-dichloro-4-mercapto-. Following Lipinski's Rule of Five, 2-Quinolinecarboxylic acid, 5,7-dichloro-4-mercapto- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Quinolinecarboxylic acid, 5,7-dichloro-4-mercapto- is 135025-62-6.
The molecular formula of 2-Quinolinecarboxylic acid, 5,7-dichloro-4-mercapto- is C10H5Cl2NO2S.
The molecular weight of 2-Quinolinecarboxylic acid, 5,7-dichloro-4-mercapto- is 272.9418 g/mol.
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