TL;DR: 2-(Furan-2-yl)-3,5,6-trimethylpyrazine 1,4-dioxide (CAS 107486-70-4) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(furan-2-yl)-3,5,6-trimethyl-4-oxidopyrazin-1-ium 1-oxide
Also Known As: 2-(furan-2-yl)-3,5,6-trimethylpyrazine 1,4-dioxide, 2-(2-furyl)-3,5,6-trimethylpyrazine 1,4-dioxide, 2-(furan-2-yl)-3,5,6-trimethyl-4-oxidopyrazin-1-ium 1-oxide, 2-(FURAN-2-YL)-3,5,6-TRIMETHYLPYRAZINE-1,4-DIIUM-1,4-BIS(OLATE)
| Molecular Formula | C11H12N2O3 |
| Molecular Weight | 220.0848 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.0848 Da |
| Heavy Atoms | 16 |
| Complexity | 398.0 |
| SMILES | CC1=C([N+](=O)C(=C(N1[O-])C)C2=CC=CO2)C |
| InChIKey | GAKFBZAREZQDOR-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Furan-2-yl)-3,5,6-trimethylpyrazine 1,4-dioxide. With a topological polar surface area (TPSA) of 59.5 Ų, 2-(Furan-2-yl)-3,5,6-trimethylpyrazine 1,4-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Furan-2-yl)-3,5,6-trimethylpyrazine 1,4-dioxide 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 2-(Furan-2-yl)-3,5,6-trimethylpyrazine 1,4-dioxide is 107486-70-4.
The molecular formula of 2-(Furan-2-yl)-3,5,6-trimethylpyrazine 1,4-dioxide is C11H12N2O3.
The molecular weight of 2-(Furan-2-yl)-3,5,6-trimethylpyrazine 1,4-dioxide is 220.0848 g/mol.
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