TL;DR: [3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl][(4-fluorophenyl)sulfonyl]acetonitrile (CAS 1212249-24-5) is a chemical compound with molecular formula C22H21FN4O3S and molecular weight 440.13184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonylacetonitrile
Also Known As: [3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl][(4-fluorophenyl)sulfonyl]acetonitrile|2-(3-(2,6-dimethylmorpholino)quinoxalin-2-yl)-2-((4-fluorophenyl)sulfonyl)acetonitrile|2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonylacetonitrile|STL226059
| Molecular Formula | C22H21FN4O3S |
| Molecular Weight | 440.13184 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.13184 Da |
| Heavy Atoms | 31 |
| Complexity | 763.0 |
| SMILES | CC1CN(CC(O1)C)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)F |
| InChIKey | SZHYPULPFJGEHA-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that [3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl][(4-fluorophenyl)sulfonyl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl][(4-fluorophenyl)sulfonyl]acetonitrile. Following Lipinski's Rule of Five, [3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl][(4-fluorophenyl)sulfonyl]acetonitrile has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl][(4-fluorophenyl)sulfonyl]acetonitrile is 1212249-24-5.
The molecular formula of [3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl][(4-fluorophenyl)sulfonyl]acetonitrile is C22H21FN4O3S.
The molecular weight of [3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl][(4-fluorophenyl)sulfonyl]acetonitrile is 440.13184 g/mol.
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