TL;DR: 2-(2-(4-(((Aminoiminomethyl)hydrazono)methyl)phenyl)ethenyl)-1-methylimidazo(1,2-a)pyridinium, salt with 4-methylbenzenesulfonic acid (1:1), mono(4-methylbenzenesulfonate) (CAS 123509-62-6) is a chemical compound with molecular formula C32H34N6O6S2 and molecular weight 662.1981 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;2-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]guanidine
Also Known As: 2-(2-(4-(((Aminoiminomethyl)hydrazono)methyl)phenyl)ethenyl)-1-methylimidazo(1,2-a)pyridinium, salt with 4-methylbenzenesulfonic acid (1:1), mono(4-methylbenzenesulfonate), 2-[[4-[2-(7-methyl-7-aza-1-azoniabicyclo[4.3.0]nona-1,3,5,8-tetraen-8-yl)ethenyl]phenyl]methylideneamino]guanidine; 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid, 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;2-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]guanidine, 2-(2-{4-[(2-Carbamimidoylhydrazinylidene)methyl]phenyl}ethen-1-yl)-1-methyl-1H-imidazo[1,2-a]pyridin-4-ium 4-methylbenzene-1-sulfonate--4-methylbenzene-1-sulfonic acid (1/1/1), 2-(2-{4-[(2-Carbamimidoylhydrazinylidene)methyl]phenyl}ethenyl)-1-methyl-1H-imidazo[1,2-a]pyridin-4-ium 4-methylbenzene-1-sulfonate--4-methylbenzene-1-sulfonic acid (1/1/1)
| Molecular Formula | C32H34N6O6S2 |
| Molecular Weight | 662.1981 g/mol |
| XLogP | 3.68234 |
| Topological Polar Surface Area (TPSA) | 214.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 662.1981 Da |
| Heavy Atoms | 46 |
| Complexity | 887.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=[N+]2C=C1C=CC3=CC=C(C=C3)C=NN=C(N)N |
| InChIKey | IDPLDDGXFVSZDB-UHFFFAOYSA-M |
The XLogP value of 3.68234 indicates that 2-(2-(4-(((Aminoiminomethyl)hydrazono)methyl)phenyl)ethenyl)-1-methylimidazo(1,2-a)pyridinium, salt with 4-methylbenzenesulfonic acid (1:1), mono(4-methylbenzenesulfonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 214.0 Ų indicates high polarity, suggesting 2-(2-(4-(((Aminoiminomethyl)hydrazono)methyl)phenyl)ethenyl)-1-methylimidazo(1,2-a)pyridinium, salt with 4-methylbenzenesulfonic acid (1:1), mono(4-methylbenzenesulfonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2-(4-(((Aminoiminomethyl)hydrazono)methyl)phenyl)ethenyl)-1-methylimidazo(1,2-a)pyridinium, salt with 4-methylbenzenesulfonic acid (1:1), mono(4-methylbenzenesulfonate) has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(2-(4-(((Aminoiminomethyl)hydrazono)methyl)phenyl)ethenyl)-1-methylimidazo(1,2-a)pyridinium, salt with 4-methylbenzenesulfonic acid (1:1), mono(4-methylbenzenesulfonate) is 123509-62-6.
The molecular formula of 2-(2-(4-(((Aminoiminomethyl)hydrazono)methyl)phenyl)ethenyl)-1-methylimidazo(1,2-a)pyridinium, salt with 4-methylbenzenesulfonic acid (1:1), mono(4-methylbenzenesulfonate) is C32H34N6O6S2.
The molecular weight of 2-(2-(4-(((Aminoiminomethyl)hydrazono)methyl)phenyl)ethenyl)-1-methylimidazo(1,2-a)pyridinium, salt with 4-methylbenzenesulfonic acid (1:1), mono(4-methylbenzenesulfonate) is 662.1981 g/mol.
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