TL;DR: 5-(4-fluorophenyl)-3-(5-(2-nitrophenyl)furan-2-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1023227-97-5) is a chemical compound with molecular formula C27H18FN3O6 and molecular weight 499.11795 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-(4-fluorophenyl)-3-(5-(2-nitrophenyl)furan-2-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
| Molecular Formula | C27H18FN3O6 |
| Molecular Weight | 499.11795 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.11795 Da |
| Heavy Atoms | 37 |
| Complexity | 886.0 |
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC=C(O5)C6=CC=CC=C6[N+](=O)[O-] |
| InChIKey | KHIKRHXUAYKXPT-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 5-(4-fluorophenyl)-3-(5-(2-nitrophenyl)furan-2-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-fluorophenyl)-3-(5-(2-nitrophenyl)furan-2-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 5-(4-fluorophenyl)-3-(5-(2-nitrophenyl)furan-2-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-(4-fluorophenyl)-3-(5-(2-nitrophenyl)furan-2-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1023227-97-5.
The molecular formula of 5-(4-fluorophenyl)-3-(5-(2-nitrophenyl)furan-2-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C27H18FN3O6.
The molecular weight of 5-(4-fluorophenyl)-3-(5-(2-nitrophenyl)furan-2-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 499.11795 g/mol.
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