TL;DR: 1H-Imidazole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(3-amino-3-iminopropyl)-1-methyl-, sulfate (1:1) (CAS 101772-41-2) is a chemical compound with molecular formula C17H27N11O7S and molecular weight 529.1816 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-amino-3-iminopropyl)-4-[[4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carboxamide;sulfuric acid
Also Known As: 1H-Imidazole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(3-amino-3-iminopropyl)-1-methyl-, sulfate (1:1), 3-<1-methyl-4-(1-methyl-4-guanidineacetamidopyrrole-2-carboxamido)imidazole-2-carboxamido>propionamidine sulfate, 4-(((4-((((Aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(3-amino-3-iminopropyl)-1-methyl-1H-imidazole-2-carboxamide sulfate (1:1), 4-{[4-(2-Guanidino-acetylamino)-1-methyl-1H-pyrrole-2-carbonyl]-amino}-1-methyl-1H-imidazole-2-carboxylic acid (2-carbamimidoyl-ethyl)-amide, N-(3-Amino-3-iminopropyl)-4-(4-(2-guanidinoacetamido)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-imidazole-2-carboxamide sulfate
| Molecular Formula | C17H27N11O7S |
| Molecular Weight | 529.1816 g/mol |
| XLogP | -2.37413 |
| Topological Polar Surface Area (TPSA) | 307.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 529.1816 Da |
| Heavy Atoms | 36 |
| Complexity | 805.0 |
| SMILES | CN1C=C(C=C1C(=O)NC2=CN(C(=N2)C(=O)NCCC(=N)N)C)NC(=O)CN=C(N)N.OS(=O)(=O)O |
| InChIKey | CQJQDJACCDHCEH-UHFFFAOYSA-N |
The XLogP value of -2.37413 indicates that 1H-Imidazole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(3-amino-3-iminopropyl)-1-methyl-, sulfate (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 307.0 Ų indicates high polarity, suggesting 1H-Imidazole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(3-amino-3-iminopropyl)-1-methyl-, sulfate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Imidazole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(3-amino-3-iminopropyl)-1-methyl-, sulfate (1:1) has 9 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1H-Imidazole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(3-amino-3-iminopropyl)-1-methyl-, sulfate (1:1) is 101772-41-2.
The molecular formula of 1H-Imidazole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(3-amino-3-iminopropyl)-1-methyl-, sulfate (1:1) is C17H27N11O7S.
The molecular weight of 1H-Imidazole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(3-amino-3-iminopropyl)-1-methyl-, sulfate (1:1) is 529.1816 g/mol.
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