TL;DR: (3aS,6aR)-3-(2H-chromen-3-yl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione (CAS 1212085-25-0) is a chemical compound with molecular formula C20H14N2O4 and molecular weight 346.09537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aS,6aR)-3-(2H-chromen-3-yl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: (3aS,6aR)-3-(2H-chromen-3-yl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione, (3aS,6aR)-3-(2H-chromen-3-yl)-5-phenyl-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, (3aS,6aR)-3-(2H-chromen-3-yl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C20H14N2O4 |
| Molecular Weight | 346.09537 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.09537 Da |
| Heavy Atoms | 26 |
| Complexity | 679.0 |
| SMILES | C1C(=CC2=CC=CC=C2O1)C3=NO[C@@H]4[C@H]3C(=O)N(C4=O)C5=CC=CC=C5 |
| InChIKey | YUDJDHDNGRHAPX-FUHWJXTLSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aS,6aR)-3-(2H-chromen-3-yl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aS,6aR)-3-(2H-chromen-3-yl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, (3aS,6aR)-3-(2H-chromen-3-yl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3aS,6aR)-3-(2H-chromen-3-yl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione is 1212085-25-0.
The molecular formula of (3aS,6aR)-3-(2H-chromen-3-yl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione is C20H14N2O4.
The molecular weight of (3aS,6aR)-3-(2H-chromen-3-yl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione is 346.09537 g/mol.
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