TL;DR: Dup 721 (CAS 104421-21-8) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[3-(4-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Also Known As: Dup 721, 4-Acetylphenyloxooxazolidinylmethylacetamide, 4-(2-chloro-6-methylphenyl)aniline, N-[[3-(4-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide, 3-(4-Acetylphenyl)-5-acetamidomethyl-2-oxazolidinone
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H16N2O4 |
| Molecular Weight | 276.111 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.111 Da |
| Heavy Atoms | 20 |
| Complexity | 402.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)N2CC(OC2=O)CNC(=O)C |
| InChIKey | POXUJOYUVLWPQN-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dup 721. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dup 721. Following Lipinski's Rule of Five, Dup 721 has 1 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 Dup 721 is 104421-21-8.
The molecular formula of Dup 721 is C14H16N2O4.
The molecular weight of Dup 721 is 276.111 g/mol.
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