TL;DR: 2-(3-nitrophenyl)-5-(4-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione (CAS 1023836-33-0) is a chemical compound with molecular formula C26H22N4O10 and molecular weight 550.1336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-nitrophenyl)-5-(4-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 2-(3-nitrophenyl)-5-(4-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 2-(3-nitrophenyl)-5-(4-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(3-nitrophenyl)-5-(4-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C26H22N4O10 |
| Molecular Weight | 550.1336 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 169.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 550.1336 Da |
| Heavy Atoms | 40 |
| Complexity | 980.0 |
| SMILES | COC1=C(C(=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])ON2C5=CC(=CC=C5)[N+](=O)[O-])OC)OC |
| InChIKey | CCOCLNLUAJFZQB-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 2-(3-nitrophenyl)-5-(4-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)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 169.0 Ų indicates high polarity, suggesting 2-(3-nitrophenyl)-5-(4-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)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, 2-(3-nitrophenyl)-5-(4-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(3-nitrophenyl)-5-(4-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 1023836-33-0.
The molecular formula of 2-(3-nitrophenyl)-5-(4-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is C26H22N4O10.
The molecular weight of 2-(3-nitrophenyl)-5-(4-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 550.1336 g/mol.
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