TL;DR: (S)-1-[2-(Acetyloxy)-1-phenylethyl]-2,5-dihydro-1H-pyrrol-2,5-dione (CAS 120566-68-9) is a chemical compound with molecular formula C14H13NO4 and molecular weight 259.08447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S)-2-(2,5-dioxopyrrol-1-yl)-2-phenylethyl] acetate
Also Known As: [(2R)-2-(2,5-dioxopyrrol-1-yl)-2-phenyl-ethyl] Acetate|1H-Pyrrole-2,5-dione, 1-[(1S)-2-(acetyloxy)-1-phenylethyl]-|(S)-1-[2-(Acetyloxy)-1-phenylethyl]-2,5-dihydro-1H -pyrrol-2,5-dione|(S)-1-[2-(Acetyloxy)-1-phenylethyl]-2,5-dihydro-1H-pyrrol-2,5-dione|GYNRDMUNSHWFAD-GFCCVEGCSA-N
| Molecular Formula | C14H13NO4 |
| Molecular Weight | 259.08447 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.08447 Da |
| Heavy Atoms | 19 |
| Complexity | 392.0 |
| SMILES | CC(=O)OC[C@H](C1=CC=CC=C1)N2C(=O)C=CC2=O |
| InChIKey | GYNRDMUNSHWFAD-GFCCVEGCSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-1-[2-(Acetyloxy)-1-phenylethyl]-2,5-dihydro-1H-pyrrol-2,5-dione. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-1-[2-(Acetyloxy)-1-phenylethyl]-2,5-dihydro-1H-pyrrol-2,5-dione. Following Lipinski's Rule of Five, (S)-1-[2-(Acetyloxy)-1-phenylethyl]-2,5-dihydro-1H-pyrrol-2,5-dione 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 (S)-1-[2-(Acetyloxy)-1-phenylethyl]-2,5-dihydro-1H-pyrrol-2,5-dione is 120566-68-9.
The molecular formula of (S)-1-[2-(Acetyloxy)-1-phenylethyl]-2,5-dihydro-1H-pyrrol-2,5-dione is C14H13NO4.
The molecular weight of (S)-1-[2-(Acetyloxy)-1-phenylethyl]-2,5-dihydro-1H-pyrrol-2,5-dione is 259.08447 g/mol.
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