TL;DR: 3,8-Dimethyl-2-phenylquinoline-4-carboxylic acid (CAS 1073556-31-6) is a chemical compound with molecular formula C18H15NO2 and molecular weight 277.1103 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,8-dimethyl-2-phenylquinoline-4-carboxylic acid
Also Known As: 3,8-dimethyl-2-phenylquinoline-4-carboxylic acid, 2(r)-2-trifluoromethylpyrrolidine, 3,8-dimethyl-2-phenyl-quinoline-4-carboxylic Acid, 3,8-dimethyl-2-phenylquinoline-4-carboxylicacid
| Molecular Formula | C18H15NO2 |
| Molecular Weight | 277.1103 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.1103 Da |
| Heavy Atoms | 21 |
| Complexity | 377.0 |
| SMILES | CC1=C2C(=CC=C1)C(=C(C(=N2)C3=CC=CC=C3)C)C(=O)O |
| InChIKey | LAGXAKIJSYQAOP-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 3,8-Dimethyl-2-phenylquinoline-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.2 Ų, 3,8-Dimethyl-2-phenylquinoline-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Dimethyl-2-phenylquinoline-4-carboxylic acid has 1 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 3,8-Dimethyl-2-phenylquinoline-4-carboxylic acid is 1073556-31-6.
The molecular formula of 3,8-Dimethyl-2-phenylquinoline-4-carboxylic acid is C18H15NO2.
The molecular weight of 3,8-Dimethyl-2-phenylquinoline-4-carboxylic acid is 277.1103 g/mol.
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