TL;DR: (3aR,6aS)-3-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1212258-40-6) is a chemical compound with molecular formula C17H9Cl2FN2O3 and molecular weight 377.99744 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR,6aS)-3-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: (3aR,6aS)-3-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, (3aR,6aS)-3-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione, (3aR,6aS)-3-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C17H9Cl2FN2O3 |
| Molecular Weight | 377.99744 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.99744 Da |
| Heavy Atoms | 25 |
| Complexity | 609.0 |
| SMILES | C1=CC(=CC=C1N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=C(C=C(C=C4)Cl)Cl)F |
| InChIKey | ZLIUAVBWRKFOJP-HIFRSBDPSA-N |
The XLogP value of 4.0 indicates that (3aR,6aS)-3-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, (3aR,6aS)-3-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aR,6aS)-3-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-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 (3aR,6aS)-3-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1212258-40-6.
The molecular formula of (3aR,6aS)-3-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is C17H9Cl2FN2O3.
The molecular weight of (3aR,6aS)-3-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is 377.99744 g/mol.
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