TL;DR: Hexanoic acid, 6-(((5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinolin-7-yl)carbonyl)amino)- (CAS 104571-66-6) is a chemical compound with molecular formula C19H22N2O6 and molecular weight 374.1478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]hexanoic acid
Also Known As: Hexanoic acid, 6-(((5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinolin-7-yl)carbonyl)amino)-, 6-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)hexanoic acid, 6-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]hexanoic acid, 6-(5-Ethyl-8-oxo-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)hexanoic acid, 6-(((5-Ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinolin-7-yl)carbonyl)amino)hexanoic acid
| Molecular Formula | C19H22N2O6 |
| Molecular Weight | 374.1478 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 374.1478 Da |
| Heavy Atoms | 27 |
| Complexity | 619.0 |
| SMILES | CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NCCCCCC(=O)O |
| InChIKey | LEMZIFZTPWXQGL-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 6-(((5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinolin-7-yl)carbonyl)amino)-. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanoic acid, 6-(((5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinolin-7-yl)carbonyl)amino)-. Following Lipinski's Rule of Five, Hexanoic acid, 6-(((5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinolin-7-yl)carbonyl)amino)- 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 Hexanoic acid, 6-(((5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinolin-7-yl)carbonyl)amino)- is 104571-66-6.
The molecular formula of Hexanoic acid, 6-(((5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinolin-7-yl)carbonyl)amino)- is C19H22N2O6.
The molecular weight of Hexanoic acid, 6-(((5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinolin-7-yl)carbonyl)amino)- is 374.1478 g/mol.
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