TL;DR: 3-(4-hydroxy-3-methoxyphenyl)-2,5-bis(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione (CAS 1022405-04-4) is a chemical compound with molecular formula C24H18N4O9 and molecular weight 506.1074 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-hydroxy-3-methoxyphenyl)-2,5-bis(4-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4-hydroxy-3-methoxyphenyl)-2,5-bis(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(4-hydroxy-3-methoxyphenyl)-2,5-bis(4-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(4-hydroxy-3-methoxyphenyl)-2,5-bis(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C24H18N4O9 |
| Molecular Weight | 506.1074 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 506.1074 Da |
| Heavy Atoms | 37 |
| Complexity | 907.0 |
| SMILES | COC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])ON2C5=CC=C(C=C5)[N+](=O)[O-])O |
| InChIKey | ZRJWELUCTUFVLP-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 3-(4-hydroxy-3-methoxyphenyl)-2,5-bis(4-nitrophenyl)dihydro-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 171.0 Ų indicates high polarity, suggesting 3-(4-hydroxy-3-methoxyphenyl)-2,5-bis(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(4-hydroxy-3-methoxyphenyl)-2,5-bis(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(4-hydroxy-3-methoxyphenyl)-2,5-bis(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 1022405-04-4.
The molecular formula of 3-(4-hydroxy-3-methoxyphenyl)-2,5-bis(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is C24H18N4O9.
The molecular weight of 3-(4-hydroxy-3-methoxyphenyl)-2,5-bis(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 506.1074 g/mol.
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