TL;DR: Imidazo(4,5-f)quinoxaline, 2-(methylsulfonyl)-3,8-dimethyl- (CAS 138336-21-7) is a chemical compound with molecular formula C12H12N4O2S and molecular weight 276.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,8-dimethyl-2-methylsulfonylimidazo[4,5-f]quinoxaline
Also Known As: Imidazo(4,5-f)quinoxaline, 2-(methylsulfonyl)-3,8-dimethyl-, 3,8-dimethyl-2-methylsulfonylimidazo[4,5-f]quinoxaline, 3,8-Dimethyl-2-(methylsulfonyl)imidazo(4,5-f)quinoxaline, 2-(Methanesulfonyl)-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline
| Molecular Formula | C12H12N4O2S |
| Molecular Weight | 276.06808 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.06808 Da |
| Heavy Atoms | 19 |
| Complexity | 449.0 |
| SMILES | CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)S(=O)(=O)C |
| InChIKey | KRKPTTIZGARUNC-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazo(4,5-f)quinoxaline, 2-(methylsulfonyl)-3,8-dimethyl-. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazo(4,5-f)quinoxaline, 2-(methylsulfonyl)-3,8-dimethyl-. Following Lipinski's Rule of Five, Imidazo(4,5-f)quinoxaline, 2-(methylsulfonyl)-3,8-dimethyl- has 0 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 Imidazo(4,5-f)quinoxaline, 2-(methylsulfonyl)-3,8-dimethyl- is 138336-21-7.
The molecular formula of Imidazo(4,5-f)quinoxaline, 2-(methylsulfonyl)-3,8-dimethyl- is C12H12N4O2S.
The molecular weight of Imidazo(4,5-f)quinoxaline, 2-(methylsulfonyl)-3,8-dimethyl- is 276.06808 g/mol.
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