TL;DR: 2-((4-(((Imino-1-pyrrolidinylmethyl)hydrazono)methyl)phenoxy)methyl)-1,5-dimethylimidazo(1,2-a)pyridinium bromide, monohydrobromide (CAS 123509-48-8) is a chemical compound with molecular formula C22H28Br2N6O and molecular weight 550.06915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[(E)-[4-[(1,5-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]pyrrolidine-1-carboximidamide;bromide;hydrobromide
Also Known As: 2-((4-(((Imino-1-pyrrolidinylmethyl)hydrazono)methyl)phenoxy)methyl)-1,5-dimethylimidazo(1,2-a)pyridinium bromide, monohydrobromide
| Molecular Formula | C22H28Br2N6O |
| Molecular Weight | 550.06915 g/mol |
| XLogP | -0.02248 |
| Topological Polar Surface Area (TPSA) | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 550.06915 Da |
| Heavy Atoms | 31 |
| Complexity | 582.0 |
| SMILES | CC1=[N+]2C=C(N(C2=CC=C1)C)COC3=CC=C(C=C3)/C=N/N=C(/N)\N4CCCC4.Br.[Br-] |
| InChIKey | NSKAHSDJEITEDJ-IXADMPAPSA-M |
The XLogP value of -0.02248 indicates that 2-((4-(((Imino-1-pyrrolidinylmethyl)hydrazono)methyl)phenoxy)methyl)-1,5-dimethylimidazo(1,2-a)pyridinium bromide, monohydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(((Imino-1-pyrrolidinylmethyl)hydrazono)methyl)phenoxy)methyl)-1,5-dimethylimidazo(1,2-a)pyridinium bromide, monohydrobromide. Following Lipinski's Rule of Five, 2-((4-(((Imino-1-pyrrolidinylmethyl)hydrazono)methyl)phenoxy)methyl)-1,5-dimethylimidazo(1,2-a)pyridinium bromide, monohydrobromide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-((4-(((Imino-1-pyrrolidinylmethyl)hydrazono)methyl)phenoxy)methyl)-1,5-dimethylimidazo(1,2-a)pyridinium bromide, monohydrobromide is 123509-48-8.
The molecular formula of 2-((4-(((Imino-1-pyrrolidinylmethyl)hydrazono)methyl)phenoxy)methyl)-1,5-dimethylimidazo(1,2-a)pyridinium bromide, monohydrobromide is C22H28Br2N6O.
The molecular weight of 2-((4-(((Imino-1-pyrrolidinylmethyl)hydrazono)methyl)phenoxy)methyl)-1,5-dimethylimidazo(1,2-a)pyridinium bromide, monohydrobromide is 550.06915 g/mol.
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