TL;DR: 5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(dimethylamino)propyl)amino)-4,5-dimethyl- (CAS 111380-29-1) is a chemical compound with molecular formula C18H24N4O and molecular weight 312.195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(dimethylamino)propylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol
Also Known As: 5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(dimethylamino)propyl)amino)-4,5-dimethyl-, 1-((3-(Dimethylamino)propyl)amino)-4,5-dimethyl-5H-pyrido(4,3-b)indol-8-ol, 1-[3-(dimethylamino)propylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol, 1-{[3-(dimethylamino)propyl]amino}-4,5-dimethyl-5H-pyrido[4,3-b]indol-8-ol
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H24N4O |
| Molecular Weight | 312.195 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 53.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.195 Da |
| Heavy Atoms | 23 |
| Complexity | 391.0 |
| SMILES | CC1=CN=C(C2=C1N(C3=C2C=C(C=C3)O)C)NCCCN(C)C |
| InChIKey | DXPDESOAWCQETH-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(dimethylamino)propyl)amino)-4,5-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.3 Ų, 5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(dimethylamino)propyl)amino)-4,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(dimethylamino)propyl)amino)-4,5-dimethyl- 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 5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(dimethylamino)propyl)amino)-4,5-dimethyl- is 111380-29-1.
The molecular formula of 5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(dimethylamino)propyl)amino)-4,5-dimethyl- is C18H24N4O.
The molecular weight of 5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(dimethylamino)propyl)amino)-4,5-dimethyl- is 312.195 g/mol.
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