TL;DR: 3-(4,5-dimethoxy-2-nitrophenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione (CAS 1023590-59-1) is a chemical compound with molecular formula C29H23N3O7 and molecular weight 525.1536 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4,5-dimethoxy-2-nitrophenyl)-5-naphthalen-1-yl-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4,5-dimethoxy-2-nitrophenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(4,5-dimethoxy-2-nitrophenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(4,5-dimethoxy-2-nitrophenyl)-5-naphthalen-1-yl-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C29H23N3O7 |
| Molecular Weight | 525.1536 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.1536 Da |
| Heavy Atoms | 39 |
| Complexity | 936.0 |
| SMILES | COC1=C(C=C(C(=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)ON2C6=CC=CC=C6)[N+](=O)[O-])OC |
| InChIKey | SMCKRAPUDIDSSG-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 3-(4,5-dimethoxy-2-nitrophenyl)-5-(naphthalen-1-yl)-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 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4,5-dimethoxy-2-nitrophenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione. Following Lipinski's Rule of Five, 3-(4,5-dimethoxy-2-nitrophenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(4,5-dimethoxy-2-nitrophenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 1023590-59-1.
The molecular formula of 3-(4,5-dimethoxy-2-nitrophenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is C29H23N3O7.
The molecular weight of 3-(4,5-dimethoxy-2-nitrophenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 525.1536 g/mol.
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