TL;DR: 5-(4-bromophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione (CAS 1023465-32-8) is a chemical compound with molecular formula C23H16BrN3O6 and molecular weight 509.02225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-bromophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-(4-bromophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(4-bromophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-bromophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C23H16BrN3O6 |
| Molecular Weight | 509.02225 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 509.02225 Da |
| Heavy Atoms | 33 |
| Complexity | 779.0 |
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)Br)C5=C(C=CC(=C5)[N+](=O)[O-])O |
| InChIKey | SEKXHFOHRWWZLY-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 5-(4-bromophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-bromophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione. Following Lipinski's Rule of Five, 5-(4-bromophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-(4-bromophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 1023465-32-8.
The molecular formula of 5-(4-bromophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is C23H16BrN3O6.
The molecular weight of 5-(4-bromophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 509.02225 g/mol.
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