TL;DR: 4-[8-(propan-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid (CAS 1212180-18-1) is a chemical compound with molecular formula C22H23NO2 and molecular weight 333.17288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(8-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid
Also Known As: 4-[8-(propan-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid, 4-[3a,4,5,9b-Tetrahydro-8-(1-methylethyl)-3H-cyclopenta[c]quinolin-4-yl]benzoic acid, 4-[8-(methylethyl)-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinolin-4-yl]benzoi c acid, 4-(3a,4,5,9b-Tetrahydro-8-(1-methylethyl)-3H-cyclopenta(c)quinolin-4-yl)benzoic acid, 4-(8-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid
| Molecular Formula | C22H23NO2 |
| Molecular Weight | 333.17288 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.17288 Da |
| Heavy Atoms | 25 |
| Complexity | 520.0 |
| SMILES | CC(C)C1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC=C(C=C4)C(=O)O |
| InChIKey | RWGOYNCGDIHCFK-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 4-[8-(propan-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, 4-[8-(propan-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[8-(propan-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[8-(propan-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid is 1212180-18-1.
The molecular formula of 4-[8-(propan-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid is C22H23NO2.
The molecular weight of 4-[8-(propan-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid is 333.17288 g/mol.
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