TL;DR: Quinolinium, 6-methoxy-1-(3-sulfopropyl)- (CAS 119971-42-5) is a chemical compound with molecular formula C13H16NO4S+ and molecular weight 282.08002 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(6-methoxyquinolin-1-ium-1-yl)propane-1-sulfonic acid
Also Known As: 6-M-Spq, 6-methoxy-N-(3-sulfopropyl)quinolinium, 6-METHOXY-1-(3-SULFOPROPYL)QUINOLIN-1-IUM, 3-(6-methoxyquinolin-1-ium-1-yl)propane-1-sulfonic acid, 3-(6-methoxyquinolin-1-yl)propane-1-sulfonic Acid
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H16NO4S+ |
| Molecular Weight | 282.08002 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 75.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.08002 Da |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
| SMILES | COC1=CC2=C(C=C1)[N+](=CC=C2)CCCS(=O)(=O)O |
| InChIKey | ZVDGOJFPFMINBM-UHFFFAOYSA-O |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinolinium, 6-methoxy-1-(3-sulfopropyl)-. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinolinium, 6-methoxy-1-(3-sulfopropyl)-. Following Lipinski's Rule of Five, Quinolinium, 6-methoxy-1-(3-sulfopropyl)- 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 Quinolinium, 6-methoxy-1-(3-sulfopropyl)- is 119971-42-5.
The molecular formula of Quinolinium, 6-methoxy-1-(3-sulfopropyl)- is C13H16NO4S+.
The molecular weight of Quinolinium, 6-methoxy-1-(3-sulfopropyl)- is 282.08002 g/mol.
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