TL;DR: 3-(2,4-dichlorophenyl)-5-(2-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1023803-34-0) is a chemical compound with molecular formula C24H17Cl2N3O6 and molecular weight 513.04944 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,4-dichlorophenyl)-5-(2-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(2,4-dichlorophenyl)-5-(2-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(2,4-dichlorophenyl)-5-(2-methoxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(2,4-dichlorophenyl)-5-(2-methoxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C24H17Cl2N3O6 |
| Molecular Weight | 513.04944 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 513.04944 Da |
| Heavy Atoms | 35 |
| Complexity | 843.0 |
| SMILES | COC1=CC=CC=C1N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=C(C=C(C=C5)Cl)Cl |
| InChIKey | HXEWDDRSXPSICH-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 3-(2,4-dichlorophenyl)-5-(2-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[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-(2,4-dichlorophenyl)-5-(2-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 3-(2,4-dichlorophenyl)-5-(2-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[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-(2,4-dichlorophenyl)-5-(2-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1023803-34-0.
The molecular formula of 3-(2,4-dichlorophenyl)-5-(2-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C24H17Cl2N3O6.
The molecular weight of 3-(2,4-dichlorophenyl)-5-(2-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 513.04944 g/mol.
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