TL;DR: Pyrazine, 2-(2-(4-bromo-1-methyl-2-(methylthio)-1H-imidazol-5-yl)-1-propenyl)-5-methyl-, (E)- (CAS 138336-01-3) is a chemical compound with molecular formula C13H15BrN4S and molecular weight 338.02008 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(E)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)prop-1-enyl]-5-methylpyrazine
Also Known As: Pyrazine, 2-(2-(4-bromo-1-methyl-2-(methylthio)-1H-imidazol-5-yl)-1-propenyl)-5-methyl-, (E)-, 2-[(E)-2-(5-bromo-3-methyl-2-methylsulfanyl-imidazol-4-yl)prop-1-enyl]-5-methyl-pyrazine, 2-[(E)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)prop-1-enyl]-5-methylpyrazine
| Molecular Formula | C13H15BrN4S |
| Molecular Weight | 338.02008 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.02008 Da |
| Heavy Atoms | 19 |
| Complexity | 339.0 |
| SMILES | CC1=CN=C(C=N1)/C=C(\C)/C2=C(N=C(N2C)SC)Br |
| InChIKey | PMKJPSLKXZLUAK-VMPITWQZSA-N |
The XLogP value of 3.1 indicates that Pyrazine, 2-(2-(4-bromo-1-methyl-2-(methylthio)-1H-imidazol-5-yl)-1-propenyl)-5-methyl-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazine, 2-(2-(4-bromo-1-methyl-2-(methylthio)-1H-imidazol-5-yl)-1-propenyl)-5-methyl-, (E)-. Following Lipinski's Rule of Five, Pyrazine, 2-(2-(4-bromo-1-methyl-2-(methylthio)-1H-imidazol-5-yl)-1-propenyl)-5-methyl-, (E)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrazine, 2-(2-(4-bromo-1-methyl-2-(methylthio)-1H-imidazol-5-yl)-1-propenyl)-5-methyl-, (E)- is 138336-01-3.
The molecular formula of Pyrazine, 2-(2-(4-bromo-1-methyl-2-(methylthio)-1H-imidazol-5-yl)-1-propenyl)-5-methyl-, (E)- is C13H15BrN4S.
The molecular weight of Pyrazine, 2-(2-(4-bromo-1-methyl-2-(methylthio)-1H-imidazol-5-yl)-1-propenyl)-5-methyl-, (E)- is 338.02008 g/mol.
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