TL;DR: 4-Amino-6-methoxy-1-phenylpyridazinium (CAS 41658-78-0) is a chemical compound with molecular formula C11H12N3O+ and molecular weight 202.09804 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methoxy-1-phenylpyridazin-1-ium-4-amine
Also Known As: amezinium, Amezinium ion, Amezinium cation, Regulton, amezinium metilsulfate
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H12N3O+ |
| Molecular Weight | 202.09804 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.09804 Da |
| Heavy Atoms | 15 |
| Complexity | 194.0 |
| SMILES | COC1=[N+](N=CC(=C1)N)C2=CC=CC=C2 |
| InChIKey | VXROHTDSRBRJLN-UHFFFAOYSA-O |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-6-methoxy-1-phenylpyridazinium. With a topological polar surface area (TPSA) of 52.0 Ų, 4-Amino-6-methoxy-1-phenylpyridazinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-6-methoxy-1-phenylpyridazinium 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 4-Amino-6-methoxy-1-phenylpyridazinium is 41658-78-0.
The molecular formula of 4-Amino-6-methoxy-1-phenylpyridazinium is C11H12N3O+.
The molecular weight of 4-Amino-6-methoxy-1-phenylpyridazinium is 202.09804 g/mol.
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