TL;DR: 9H-Pyrido(3,4-b)indolium, 2,2'-hexamethylenebis(1-methyl-, dibromide (CAS 63919-11-9) is a chemical compound with molecular formula C30H32Br2N4 and molecular weight 606.09937 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-2-[6-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)hexyl]-9H-pyrido[3,4-b]indol-2-ium dibromide
Also Known As: 9H-Pyrido(3,4-b)indolium, 2,2'-hexamethylenebis(1-methyl-, dibromide, 2,2'-Hexamethylenebis(1-methyl-9H-pyrido(3,4-b)indolium bromide), 9H-Pyrido(3,4-b)indolium, 2,2'-(1,6-hexanediyl)bis(1-methyl-, dibromide, 2,2'-hexane-1,6-diylbis(1-methyl-9h-, A-carbolin-2-ium) dibromide
| Molecular Formula | C30H32Br2N4 |
| Molecular Weight | 606.09937 g/mol |
| XLogP | 0.42 |
| Topological Polar Surface Area (TPSA) | 39.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 608.0973 Da |
| Heavy Atoms | 36 |
| Complexity | 612.0 |
| SMILES | CC1=[N+](C=CC2=C1NC3=CC=CC=C23)CCCCCC[N+]4=C(C5=C(C=C4)C6=CC=CC=C6N5)C.[Br-].[Br-] |
| InChIKey | NBUIZRCIJOKTIQ-UHFFFAOYSA-N |
The XLogP value of 0.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Pyrido(3,4-b)indolium, 2,2'-hexamethylenebis(1-methyl-, dibromide. With a topological polar surface area (TPSA) of 39.3 Ų, 9H-Pyrido(3,4-b)indolium, 2,2'-hexamethylenebis(1-methyl-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Pyrido(3,4-b)indolium, 2,2'-hexamethylenebis(1-methyl-, dibromide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 9H-Pyrido(3,4-b)indolium, 2,2'-hexamethylenebis(1-methyl-, dibromide is 63919-11-9.
The molecular formula of 9H-Pyrido(3,4-b)indolium, 2,2'-hexamethylenebis(1-methyl-, dibromide is C30H32Br2N4.
The molecular weight of 9H-Pyrido(3,4-b)indolium, 2,2'-hexamethylenebis(1-methyl-, dibromide is 606.09937 g/mol.
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