TL;DR: (Z)-[6-carbamoyl-1-(4-methoxyphenyl)-2-sulfanylideneimidazo[1,2-a]pyridin-4-ium-3-ylidene]-[5-(dimethylsulfamoyl)-2-methylanilino]methanolate (CAS 1092794-12-1) is a chemical compound with molecular formula C25H25N5O5S2 and molecular weight 539.1297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-carbamoyl-3-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]-1-(4-methoxyphenyl)imidazo[1,2-a]pyridin-4-ium-2-thiolate
Also Known As: (Z)-[6-carbamoyl-1-(4-methoxyphenyl)-2-sulfanylideneimidazo[1,2-a]pyridin-4-ium-3-ylidene]-[5-(dimethylsulfamoyl)-2-methylanilino]methanolate, [6-carbamoyl-1-(4-methoxyphenyl)-2-sulfanylideneimidazo[1,2-a]pyridin-4-ium-3-ylidene]-[5-(dimethylsulfamoyl)-2-methylanilino]methanolate, Imidazo[1,2-a]pyridinium, 6-(aminocarbonyl)-3-[[[5-[(dimethylamino)sulfonyl]-2-methylphenyl]amino]carbonyl]-2-mercapto-1-(4-methoxyphenyl)-, inner salt
| Molecular Formula | C25H25N5O5S2 |
| Molecular Weight | 539.1297 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 539.1297 Da |
| Heavy Atoms | 37 |
| Complexity | 936.0 |
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=C(N(C3=[N+]2C=C(C=C3)C(=O)N)C4=CC=C(C=C4)OC)[S-] |
| InChIKey | GQTIVOCHHHHWBV-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that (Z)-[6-carbamoyl-1-(4-methoxyphenyl)-2-sulfanylideneimidazo[1,2-a]pyridin-4-ium-3-ylidene]-[5-(dimethylsulfamoyl)-2-methylanilino]methanolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-[6-carbamoyl-1-(4-methoxyphenyl)-2-sulfanylideneimidazo[1,2-a]pyridin-4-ium-3-ylidene]-[5-(dimethylsulfamoyl)-2-methylanilino]methanolate. Following Lipinski's Rule of Five, (Z)-[6-carbamoyl-1-(4-methoxyphenyl)-2-sulfanylideneimidazo[1,2-a]pyridin-4-ium-3-ylidene]-[5-(dimethylsulfamoyl)-2-methylanilino]methanolate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Z)-[6-carbamoyl-1-(4-methoxyphenyl)-2-sulfanylideneimidazo[1,2-a]pyridin-4-ium-3-ylidene]-[5-(dimethylsulfamoyl)-2-methylanilino]methanolate is 1092794-12-1.
The molecular formula of (Z)-[6-carbamoyl-1-(4-methoxyphenyl)-2-sulfanylideneimidazo[1,2-a]pyridin-4-ium-3-ylidene]-[5-(dimethylsulfamoyl)-2-methylanilino]methanolate is C25H25N5O5S2.
The molecular weight of (Z)-[6-carbamoyl-1-(4-methoxyphenyl)-2-sulfanylideneimidazo[1,2-a]pyridin-4-ium-3-ylidene]-[5-(dimethylsulfamoyl)-2-methylanilino]methanolate is 539.1297 g/mol.
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