TL;DR: 8-(2,4-dichlorobenzoyl)oxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (CAS 1008008-24-9) is a chemical compound with molecular formula C20H15Cl2NO4 and molecular weight 403.0378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-(2,4-dichlorobenzoyl)oxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
Also Known As: 8-(2,4-dichlorobenzoyl)oxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid, 8-((2,4-dichlorobenzoyl)oxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid, 8-(2,4-dichlorophenyl)carbonyloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid, 8-[(2,4-dichlorophenyl)-oxomethoxy]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid, 8-{[(2,4-dichlorophenyl)carbonyl]oxy}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolinium-4-carboxylate
| Molecular Formula | C20H15Cl2NO4 |
| Molecular Weight | 403.0378 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.0378 Da |
| Heavy Atoms | 27 |
| Complexity | 627.0 |
| SMILES | C1C=CC2C1C(NC3=C2C=C(C=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)O |
| InChIKey | PREIJVXDCSNASS-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 8-(2,4-dichlorobenzoyl)oxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2,4-dichlorobenzoyl)oxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid. Following Lipinski's Rule of Five, 8-(2,4-dichlorobenzoyl)oxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 8-(2,4-dichlorobenzoyl)oxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is 1008008-24-9.
The molecular formula of 8-(2,4-dichlorobenzoyl)oxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is C20H15Cl2NO4.
The molecular weight of 8-(2,4-dichlorobenzoyl)oxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is 403.0378 g/mol.
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