TL;DR: 3-(4-methoxyphenyl)-5-(3-nitrophenyl)-2,3a-diphenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1022543-73-2) is a chemical compound with molecular formula C30H23N3O6 and molecular weight 521.1587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methoxyphenyl)-5-(3-nitrophenyl)-2,3a-diphenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4-methoxyphenyl)-5-(3-nitrophenyl)-2,3a-diphenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(4-methoxyphenyl)-5-(3-nitrophenyl)-2,3a-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(4-methoxyphenyl)-5-(3-nitrophenyl)-2,3a-diphenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 8-(4-methoxyphenyl)-3-(3-nitrophenyl)-1,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
| Molecular Formula | C30H23N3O6 |
| Molecular Weight | 521.1587 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 521.1587 Da |
| Heavy Atoms | 39 |
| Complexity | 920.0 |
| SMILES | COC1=CC=C(C=C1)C2C3(C(C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])ON2C5=CC=CC=C5)C6=CC=CC=C6 |
| InChIKey | YRHBIPLZZXSQFR-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 3-(4-methoxyphenyl)-5-(3-nitrophenyl)-2,3a-diphenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-methoxyphenyl)-5-(3-nitrophenyl)-2,3a-diphenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)-5-(3-nitrophenyl)-2,3a-diphenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(4-methoxyphenyl)-5-(3-nitrophenyl)-2,3a-diphenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1022543-73-2.
The molecular formula of 3-(4-methoxyphenyl)-5-(3-nitrophenyl)-2,3a-diphenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is C30H23N3O6.
The molecular weight of 3-(4-methoxyphenyl)-5-(3-nitrophenyl)-2,3a-diphenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is 521.1587 g/mol.
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