TL;DR: Oxamniquine (CAS 21738-42-1) is a chemical compound with molecular formula C14H21N3O3 and molecular weight 279.1583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]methanol
Also Known As: oxamniquine, Mansil, Vansil, Oxaminiquine, Oxamniquinum
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H21N3O3 |
| Molecular Weight | 279.1583 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 90.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.1583 Da |
| Heavy Atoms | 20 |
| Complexity | 332.0 |
| Melting Point | 147-149 °C |
| Solubility | 820 |
| SMILES | CC(C)NCC1CCC2=CC(=C(C=C2N1)[N+](=O)[O-])CO |
| InChIKey | XCGYUJZMCCFSRP-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxamniquine. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxamniquine. Following Lipinski's Rule of Five, Oxamniquine has 3 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 Oxamniquine is 21738-42-1.
The molecular formula of Oxamniquine is C14H21N3O3.
The molecular weight of Oxamniquine is 279.1583 g/mol.
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