TL;DR: 1-(2-(2-Hydroxyethyl)aminoethyl)amino-4-methyl-5H-pyrido(4,3-b)indole dimaleate (CAS 111380-16-6) is a chemical compound with molecular formula C24H28N4O9 and molecular weight 516.1856 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((Z)-but-2-enedioic acid);2-[2-[(4-methyl-5H-pyrido[4,3-b]indol-1-yl)amino]ethylamino]ethanol
Also Known As: 1-(2-(2-Hydroxyethyl)aminoethyl)amino-4-methyl-5H-pyrido(4,3-b)indole dimaleate, Ethanol, 2-((2-((4-methyl-5H-pyrido(4,3-b)indol-1-yl)amino)ethyl)amino)-, (Z)-2-butenedioate (1:2) (salt), (Z)-but-2-enedioic acid; 2-[2-[(4-methyl-5H-pyrido[4,3-b]indol-1-yl)amino]ethylamino]ethanol
| Molecular Formula | C24H28N4O9 |
| Molecular Weight | 516.1856 g/mol |
| XLogP | 1.44192 |
| Topological Polar Surface Area (TPSA) | 222.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 516.1856 Da |
| Heavy Atoms | 37 |
| Complexity | 446.0 |
| SMILES | CC1=CN=C(C2=C1NC3=CC=CC=C23)NCCNCCO.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
| InChIKey | IBIJTBSQWQTHRM-SPIKMXEPSA-N |
The XLogP value of 1.44192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(2-Hydroxyethyl)aminoethyl)amino-4-methyl-5H-pyrido(4,3-b)indole dimaleate. The TPSA of 222.0 Ų indicates high polarity, suggesting 1-(2-(2-Hydroxyethyl)aminoethyl)amino-4-methyl-5H-pyrido(4,3-b)indole dimaleate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2-(2-Hydroxyethyl)aminoethyl)amino-4-methyl-5H-pyrido(4,3-b)indole dimaleate has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(2-(2-Hydroxyethyl)aminoethyl)amino-4-methyl-5H-pyrido(4,3-b)indole dimaleate is 111380-16-6.
The molecular formula of 1-(2-(2-Hydroxyethyl)aminoethyl)amino-4-methyl-5H-pyrido(4,3-b)indole dimaleate is C24H28N4O9.
The molecular weight of 1-(2-(2-Hydroxyethyl)aminoethyl)amino-4-methyl-5H-pyrido(4,3-b)indole dimaleate is 516.1856 g/mol.
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