TL;DR: 8-Nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (CAS 1415811-49-2) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.0797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
Also Known As: 8-Nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid, BAS 00586470, BIM-0027284.P001, (3aR,4S,9bS)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid, Cambridge id 5662143
| Molecular Formula | C13H12N2O4 |
| Molecular Weight | 260.0797 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.0797 Da |
| Heavy Atoms | 19 |
| Complexity | 431.0 |
| SMILES | C1C=CC2C1C(NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O |
| InChIKey | FVGRNYLHBYNHAI-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid. Following Lipinski's Rule of Five, 8-Nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 8-Nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is 1415811-49-2.
The molecular formula of 8-Nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is C13H12N2O4.
The molecular weight of 8-Nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is 260.0797 g/mol.
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