TL;DR: Imidazo(4,5-f)quinoxaline, 2-(methylthio)-3,4,7-trimethyl- (CAS 138336-20-6) is a chemical compound with molecular formula C13H14N4S and molecular weight 258.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,7-trimethyl-2-methylsulfanylimidazo[4,5-f]quinoxaline
Also Known As: Imidazo(4,5-f)quinoxaline, 2-(methylthio)-3,4,7-trimethyl-, 3,4,7-Trimethyl-2-(methylthio)imidazo(4,5-f)quinoxaline, 3,4,7-trimethyl-2-methylsulfanylimidazo[4,5-f]quinoxaline, 3,4,7-Trimethyl-2-(methylsulfanyl)-3H-imidazo[4,5-f]quinoxaline
| Molecular Formula | C13H14N4S |
| Molecular Weight | 258.0939 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.0939 Da |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
| SMILES | CC1=CC2=NC(=CN=C2C3=C1N(C(=N3)SC)C)C |
| InChIKey | BDTYTAKDIXUPLX-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazo(4,5-f)quinoxaline, 2-(methylthio)-3,4,7-trimethyl-. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazo(4,5-f)quinoxaline, 2-(methylthio)-3,4,7-trimethyl-. Following Lipinski's Rule of Five, Imidazo(4,5-f)quinoxaline, 2-(methylthio)-3,4,7-trimethyl- 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 Imidazo(4,5-f)quinoxaline, 2-(methylthio)-3,4,7-trimethyl- is 138336-20-6.
The molecular formula of Imidazo(4,5-f)quinoxaline, 2-(methylthio)-3,4,7-trimethyl- is C13H14N4S.
The molecular weight of Imidazo(4,5-f)quinoxaline, 2-(methylthio)-3,4,7-trimethyl- is 258.0939 g/mol.
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