TL;DR: 2-Quinolinecarboxylic acid, 5-bromo-8-methoxy- (CAS 103859-96-7) is a chemical compound with molecular formula C11H8BrNO3 and molecular weight 280.96875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-8-methoxyquinoline-2-carboxylic acid
Also Known As: 5-Bromo-8-methoxyquinoline-2-carboxylic acid, 2-Quinolinecarboxylic acid, 5-bromo-8-methoxy-, 5-Brom-8-methoxy-chinolin-2-carbonsaeure, 5-bromo-8-methoxy-quinoline-2-carboxylic Acid, 8-methoxy-5-bromo-quinoline-2-carboxylic acid
| Molecular Formula | C11H8BrNO3 |
| Molecular Weight | 280.96875 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.96875 Da |
| Heavy Atoms | 16 |
| Complexity | 274.0 |
| SMILES | COC1=C2C(=C(C=C1)Br)C=CC(=N2)C(=O)O |
| InChIKey | SKDJMNAJJIQPST-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Quinolinecarboxylic acid, 5-bromo-8-methoxy-. With a topological polar surface area (TPSA) of 59.4 Ų, 2-Quinolinecarboxylic acid, 5-bromo-8-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Quinolinecarboxylic acid, 5-bromo-8-methoxy- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Quinolinecarboxylic acid, 5-bromo-8-methoxy- is 103859-96-7.
The molecular formula of 2-Quinolinecarboxylic acid, 5-bromo-8-methoxy- is C11H8BrNO3.
The molecular weight of 2-Quinolinecarboxylic acid, 5-bromo-8-methoxy- is 280.96875 g/mol.
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