TL;DR: 5H-Pyrido(4,3-b)indol-8-ol, 4,5-dimethyl-1-((3-(1-pyrrolidinyl)propyl)amino)-, dihydrochloride (CAS 111380-40-6) is a chemical compound with molecular formula C20H28Cl2N4O and molecular weight 410.16403 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dimethyl-1-(3-pyrrolidin-1-ylpropylamino)pyrido[4,3-b]indol-8-ol;dihydrochloride
Also Known As: 5H-Pyrido(4,3-b)indol-8-ol, 4,5-dimethyl-1-((3-(1-pyrrolidinyl)propyl)amino)-, dihydrochloride, 1-(Butylaminopropyl)amino-4,5-dimethyl-5H-pyrido(4,3-b)indole dihydrochloride, 4,5-dimethyl-1-(3-pyrrolidin-1-ylpropylamino)pyrido[4,3-b]indol-8-ol dihydrochloride, 4,5-Dimethyl-1-{[3-(pyrrolidin-1-yl)propyl]amino}-5H-pyrido[4,3-b]indol-8-ol--hydrogen chloride (1/2)
| Molecular Formula | C20H28Cl2N4O |
| Molecular Weight | 410.16403 g/mol |
| XLogP | 4.48192 |
| Topological Polar Surface Area (TPSA) | 53.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.16403 Da |
| Heavy Atoms | 27 |
| Complexity | 441.0 |
| SMILES | CC1=CN=C(C2=C1N(C3=C2C=C(C=C3)O)C)NCCCN4CCCC4.Cl.Cl |
| InChIKey | LAUQVSZAKNBISB-UHFFFAOYSA-N |
The XLogP value of 4.48192 indicates that 5H-Pyrido(4,3-b)indol-8-ol, 4,5-dimethyl-1-((3-(1-pyrrolidinyl)propyl)amino)-, dihydrochloride 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, 4,5-dimethyl-1-((3-(1-pyrrolidinyl)propyl)amino)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Pyrido(4,3-b)indol-8-ol, 4,5-dimethyl-1-((3-(1-pyrrolidinyl)propyl)amino)-, dihydrochloride has 4 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, 4,5-dimethyl-1-((3-(1-pyrrolidinyl)propyl)amino)-, dihydrochloride is 111380-40-6.
The molecular formula of 5H-Pyrido(4,3-b)indol-8-ol, 4,5-dimethyl-1-((3-(1-pyrrolidinyl)propyl)amino)-, dihydrochloride is C20H28Cl2N4O.
The molecular weight of 5H-Pyrido(4,3-b)indol-8-ol, 4,5-dimethyl-1-((3-(1-pyrrolidinyl)propyl)amino)-, dihydrochloride is 410.16403 g/mol.
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