TL;DR: Heptyl 2-cyano-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetate (CAS 1022251-62-2) is a chemical compound with molecular formula C24H32N4O3 and molecular weight 424.24744 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
heptyl 2-cyano-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetate
Also Known As: Heptyl 2-cyano-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetate, heptyl 2-cyano-2-(3-(2,6-dimethylmorpholino)quinoxalin-2-yl)acetate, F3225-4769, heptyl cyano[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetate
| Molecular Formula | C24H32N4O3 |
| Molecular Weight | 424.24744 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 424.24744 Da |
| Heavy Atoms | 31 |
| Complexity | 611.0 |
| SMILES | CCCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CC(OC(C3)C)C |
| InChIKey | WVSDPBMRQIYJFH-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that Heptyl 2-cyano-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptyl 2-cyano-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetate. Following Lipinski's Rule of Five, Heptyl 2-cyano-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Heptyl 2-cyano-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetate is 1022251-62-2.
The molecular formula of Heptyl 2-cyano-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetate is C24H32N4O3.
The molecular weight of Heptyl 2-cyano-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetate is 424.24744 g/mol.
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