TL;DR: 1-(3-Chlorophenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione (CAS 895651-09-9) is a chemical compound with molecular formula C17H12ClFN2O2 and molecular weight 330.05713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chlorophenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione
Also Known As: 1-(3-chlorophenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione, F1608-0778, 1-(3-chlorophenyl)-4-(2-fluorobenzyl)pyrazine-2,3(1H,4H)-dione, 1-(3-chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrazine-2,3-dione
| Molecular Formula | C17H12ClFN2O2 |
| Molecular Weight | 330.05713 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.05713 Da |
| Heavy Atoms | 23 |
| Complexity | 499.0 |
| SMILES | C1=CC=C(C(=C1)CN2C=CN(C(=O)C2=O)C3=CC(=CC=C3)Cl)F |
| InChIKey | HYYUYYVJUQPOPH-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 1-(3-Chlorophenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, 1-(3-Chlorophenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(3-Chlorophenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione is 895651-09-9.
The molecular formula of 1-(3-Chlorophenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione is C17H12ClFN2O2.
The molecular weight of 1-(3-Chlorophenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione is 330.05713 g/mol.
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