TL;DR: 1-((3-(Dimethylamino)propyl)amino)-5-methyl-5H-pyrido(4,3-b)indol-8-ol (CAS 111380-43-9) is a chemical compound with molecular formula C17H22N4O and molecular weight 298.17935 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(dimethylamino)propylamino]-5-methylpyrido[4,3-b]indol-8-ol
Also Known As: 1-((3-(Dimethylamino)propyl)amino)-5-methyl-5H-pyrido(4,3-b)indol-8-ol, 1-[3-(dimethylamino)propylamino]-5-methylpyrido[4,3-b]indol-8-ol, 1-{[3-(dimethylamino)propyl]amino}-5-methyl-5H-pyrido[4,3-b]indol-8-ol
| Molecular Formula | C17H22N4O |
| Molecular Weight | 298.17935 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 53.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.17935 Da |
| Heavy Atoms | 22 |
| Complexity | 365.0 |
| SMILES | CN1C2=C(C=C(C=C2)O)C3=C1C=CN=C3NCCCN(C)C |
| InChIKey | AIRWWXZNIIRLEX-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((3-(Dimethylamino)propyl)amino)-5-methyl-5H-pyrido(4,3-b)indol-8-ol. With a topological polar surface area (TPSA) of 53.3 Ų, 1-((3-(Dimethylamino)propyl)amino)-5-methyl-5H-pyrido(4,3-b)indol-8-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((3-(Dimethylamino)propyl)amino)-5-methyl-5H-pyrido(4,3-b)indol-8-ol has 2 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 1-((3-(Dimethylamino)propyl)amino)-5-methyl-5H-pyrido(4,3-b)indol-8-ol is 111380-43-9.
The molecular formula of 1-((3-(Dimethylamino)propyl)amino)-5-methyl-5H-pyrido(4,3-b)indol-8-ol is C17H22N4O.
The molecular weight of 1-((3-(Dimethylamino)propyl)amino)-5-methyl-5H-pyrido(4,3-b)indol-8-ol is 298.17935 g/mol.
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