TL;DR: 10-Methoxy-2-(3-(1'-(2-(10-methoxy-7-methyl-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-7-methyl-7H-pyrido(4,3-c)carbazolium tetramethanesulfonate (CAS 113794-19-7) is a chemical compound with molecular formula C53H70N6O14S4-2 and molecular weight 1142.3833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methanesulfonate;methanesulfonic acid;10-methoxy-2-[3-[4-[1-[(E)-2-(10-methoxy-7-methyl-7aH-pyrido[4,3-c]carbazol-2-yl)ethenyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methyl-7aH-pyrido[4,3-c]carbazole
Also Known As: 10-Methoxy-2-(3-(1'-(2-(10-methoxy-7-methyl-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-7-methyl-7H-pyrido(4,3-c)carbazolium tetramethanesulfonate, 7H-Pyrido(4,3-c)carbazolium, 10-methoxy-2-(3-(1'-(2-(10-methoxy-7-methyl-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-7-methyl-, dimethanesulfonate, dimethanesulfonate, methanesulfonate; methanesulfonic acid; 10-methoxy-2-[3-[4-[1-[(E)-2-(10-methoxy-7-methyl-7aH-pyrido[4,3-c]carbazol-2-yl)ethenyl]piperidin-4-yl]piperidin-1-yl]propyl]-7-methyl-7aH-pyrido[4,3-c]carbazole
| Molecular Formula | C53H70N6O14S4-2 |
| Molecular Weight | 1142.3833 g/mol |
| XLogP | 2.1899 |
| Topological Polar Surface Area (TPSA) | 295.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 9 |
| Exact Mass | 1142.3833 Da |
| Heavy Atoms | 77 |
| Complexity | 2350.0 |
| SMILES | CN1C2C=CC(=CC2=C3C1=CC=C4C3=CN(C=C4)CCCN5CCC(CC5)C6CCN(CC6)/C=C/N7C=CC8=CC=C9C(=C1C=C(C=CC1N9C)OC)C8=C7)OC.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)[O-].CS(=O)(=O)[O-] |
| InChIKey | XYGIFXDNNGEAFZ-YKPUJPTISA-L |
The XLogP value of 2.1899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-Methoxy-2-(3-(1'-(2-(10-methoxy-7-methyl-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-7-methyl-7H-pyrido(4,3-c)carbazolium tetramethanesulfonate. The TPSA of 295.0 Ų indicates high polarity, suggesting 10-Methoxy-2-(3-(1'-(2-(10-methoxy-7-methyl-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-7-methyl-7H-pyrido(4,3-c)carbazolium tetramethanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-Methoxy-2-(3-(1'-(2-(10-methoxy-7-methyl-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-7-methyl-7H-pyrido(4,3-c)carbazolium tetramethanesulfonate has 2 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 10-Methoxy-2-(3-(1'-(2-(10-methoxy-7-methyl-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-7-methyl-7H-pyrido(4,3-c)carbazolium tetramethanesulfonate is 113794-19-7.
The molecular formula of 10-Methoxy-2-(3-(1'-(2-(10-methoxy-7-methyl-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-7-methyl-7H-pyrido(4,3-c)carbazolium tetramethanesulfonate is C53H70N6O14S4-2.
The molecular weight of 10-Methoxy-2-(3-(1'-(2-(10-methoxy-7-methyl-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-7-methyl-7H-pyrido(4,3-c)carbazolium tetramethanesulfonate is 1142.3833 g/mol.
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