TL;DR: (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid (CAS 1173681-93-0) is a chemical compound with molecular formula C18H23N5O4S and molecular weight 405.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid
Also Known As: (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid, (S)-2-((S)-2-(2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamido)-4-(methylthio)butanamido)propanoic acid
| Molecular Formula | C18H23N5O4S |
| Molecular Weight | 405.14706 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.14706 Da |
| Heavy Atoms | 28 |
| Complexity | 607.0 |
| SMILES | C[C@@H](C(=O)O)NC(=O)[C@H](CCSC)NC(=O)N1CCN2C1=NC3=CC=CC=C32 |
| InChIKey | IQWFGUQAIYZERE-AAEUAGOBSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid. The TPSA of 142.0 Ų indicates high polarity, suggesting (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid is 1173681-93-0.
The molecular formula of (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid is C18H23N5O4S.
The molecular weight of (2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid is 405.14706 g/mol.
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