TL;DR: 1-Ethyl-6-fluoro-7-[4-(2-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid (CAS 151292-88-5) is a chemical compound with molecular formula C24H22F2N4O4S and molecular weight 500.133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-6-fluoro-7-[4-[(2-fluorobenzoyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Also Known As: 1-Ethyl-6-fluoro-7-[4-(2-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid, 1-ethyl-6-fluoro-7-[4-[(2-fluorobenzoyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid, 1-ethyl-6-fluoranyl-7-[4-[(2-fluorophenyl)carbonylcarbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid, 1-ethyl-6-fluoro-7-(4-((2-fluorobenzoyl)carbamothioyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-ethyl-6-fluoro-7-(4-{[(2-fluorophenyl)carbonyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C24H22F2N4O4S |
| Molecular Weight | 500.133 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 500.133 Da |
| Heavy Atoms | 35 |
| Complexity | 895.0 |
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4F)F)C(=O)O |
| InChIKey | XDYSBUAWRBKWTK-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 1-Ethyl-6-fluoro-7-[4-(2-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-6-fluoro-7-[4-(2-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid. Following Lipinski's Rule of Five, 1-Ethyl-6-fluoro-7-[4-(2-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Ethyl-6-fluoro-7-[4-(2-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid is 151292-88-5.
The molecular formula of 1-Ethyl-6-fluoro-7-[4-(2-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid is C24H22F2N4O4S.
The molecular weight of 1-Ethyl-6-fluoro-7-[4-(2-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid is 500.133 g/mol.
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