TL;DR: 1-hydroxy-2-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid (CAS 123510-38-3) is a chemical compound with molecular formula C30H32N6O7S2 and molecular weight 652.17737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hydroxy-2-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid
Also Known As: 2-(4-{[2-(N-Hydroxycarbamimidoyl)hydrazinylidene]methyl}phenyl)-1-methyl-1H-imidazo[1,2-a]pyridin-4-ium 4-methylbenzene-1-sulfonate--4-methylbenzene-1-sulfonic acid (1/1/1)
| Molecular Formula | C30H32N6O7S2 |
| Molecular Weight | 652.17737 g/mol |
| XLogP | 3.19904 |
| Topological Polar Surface Area (TPSA) | 220.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 652.17737 Da |
| Heavy Atoms | 45 |
| Complexity | 845.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=[N+]2C=C1C3=CC=C(C=C3)C=NN=C(N)NO |
| InChIKey | NWBNTSKCWSUIHD-UHFFFAOYSA-M |
The XLogP value of 3.19904 indicates that 1-hydroxy-2-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 220.0 Ų indicates high polarity, suggesting 1-hydroxy-2-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-hydroxy-2-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-hydroxy-2-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid is 123510-38-3.
The molecular formula of 1-hydroxy-2-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid is C30H32N6O7S2.
The molecular weight of 1-hydroxy-2-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid is 652.17737 g/mol.
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