TL;DR: 7H-Pyrido(4,3-c)carbazolium, 10-methoxy-2-(3-(1'-(2-(10-methoxy-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-, dimethanesulfonate, dimethanesulfonate (CAS 113794-16-4) is a chemical compound with molecular formula C51H66N6O14S4-2 and molecular weight 1114.3519 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-11a,11b-dihydropyrido[4,3-c]carbazol-2-yl)ethenyl]piperidin-4-yl]piperidin-1-yl]propyl]-11a,11b-dihydropyrido[4,3-c]carbazole
Also Known As: 7H-Pyrido(4,3-c)carbazolium, 10-methoxy-2-(3-(1'-(2-(10-methoxy-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-, dimethanesulfonate, dimethanesulfonate, 10-Methoxy-2-(3-(1'-(2-(10-methoxy-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-7H-pyrido(4,3-c)carbazolium tetramethanesulfonate, methanesulfonate; methanesulfonic acid; 10-methoxy-2-[3-[4-[1-[(E)-2-(10-methoxy-11a,11b-dihydropyrido[4,3-c]carbazol-2-yl)ethenyl]piperidin-4-yl]piperidin-1-yl]propyl]-11a,11b-dihydropyrido[4,3-c]carbazole
| Molecular Formula | C51H66N6O14S4-2 |
| Molecular Weight | 1114.3519 g/mol |
| XLogP | 5.2509 |
| Topological Polar Surface Area (TPSA) | 313.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 9 |
| Exact Mass | 1114.3519 Da |
| Heavy Atoms | 75 |
| Complexity | 2250.0 |
| SMILES | COC1=CC2C3C(=CC=C4C3=CN(C=C4)CCCN5CCC(CC5)C6CCN(CC6)/C=C/N7C=CC8=CC=C9C(C8=C7)C3C=C(C=CC3=N9)OC)N=C2C=C1.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)[O-].CS(=O)(=O)[O-] |
| InChIKey | CXALNGJRRHMYIX-SUKNUWSWSA-L |
The XLogP value of 5.2509 indicates that 7H-Pyrido(4,3-c)carbazolium, 10-methoxy-2-(3-(1'-(2-(10-methoxy-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-, dimethanesulfonate, dimethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 313.0 Ų indicates high polarity, suggesting 7H-Pyrido(4,3-c)carbazolium, 10-methoxy-2-(3-(1'-(2-(10-methoxy-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-, dimethanesulfonate, dimethanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7H-Pyrido(4,3-c)carbazolium, 10-methoxy-2-(3-(1'-(2-(10-methoxy-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-, dimethanesulfonate, dimethanesulfonate has 2 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 7H-Pyrido(4,3-c)carbazolium, 10-methoxy-2-(3-(1'-(2-(10-methoxy-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-, dimethanesulfonate, dimethanesulfonate is 113794-16-4.
The molecular formula of 7H-Pyrido(4,3-c)carbazolium, 10-methoxy-2-(3-(1'-(2-(10-methoxy-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-, dimethanesulfonate, dimethanesulfonate is C51H66N6O14S4-2.
The molecular weight of 7H-Pyrido(4,3-c)carbazolium, 10-methoxy-2-(3-(1'-(2-(10-methoxy-7H-pyrido(4,3-c)carbazolium-2-yl)ethyl)(4,4'-bipiperidin)-1-yl)propyl)-, dimethanesulfonate, dimethanesulfonate is 1114.3519 g/mol.
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