TL;DR: (1R,2S)-1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-ol (CAS 138335-86-1) is a chemical compound with molecular formula C13H17BrN4OS and molecular weight 356.03064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2S)-1-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-ol
Also Known As: (1R,2S)-1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-ol, (1R,2S)-1-(5-bromo-3-methyl-2-methylsulfanyl-imidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-ol, (1R,2S)-1-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-ol, (1R,2S)-1-[4-Bromo-1-methyl-2-(methylsulfanyl)-1H-imidazol-5-yl]-2-(6-methylpyrazin-2-yl)propan-1-ol
| Molecular Formula | C13H17BrN4OS |
| Molecular Weight | 356.03064 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.03064 Da |
| Heavy Atoms | 20 |
| Complexity | 325.0 |
| SMILES | CC1=CN=CC(=N1)[C@H](C)[C@H](C2=C(N=C(N2C)SC)Br)O |
| InChIKey | MFYRLEAIRLKQPQ-GZMMTYOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,2S)-1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-ol. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,2S)-1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-ol. Following Lipinski's Rule of Five, (1R,2S)-1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-ol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1R,2S)-1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-ol is 138335-86-1.
The molecular formula of (1R,2S)-1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-ol is C13H17BrN4OS.
The molecular weight of (1R,2S)-1-(5-Bromo-3-methyl-2-methylthioimidazol-4-yl)-2-(6-methylpyrazin-2-yl)propan-1-ol is 356.03064 g/mol.
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