TL;DR: 3-(5-(3,4-dichlorophenyl)furan-2-yl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1023568-03-7) is a chemical compound with molecular formula C28H20Cl2N2O4 and molecular weight 518.08 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(5-(3,4-dichlorophenyl)furan-2-yl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
| Molecular Formula | C28H20Cl2N2O4 |
| Molecular Weight | 518.08 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 63.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.08 Da |
| Heavy Atoms | 36 |
| Complexity | 830.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(O5)C6=CC(=C(C=C6)Cl)Cl |
| InChIKey | WYYYTXNFYZOAJH-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that 3-(5-(3,4-dichlorophenyl)furan-2-yl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-(3,4-dichlorophenyl)furan-2-yl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 3-(5-(3,4-dichlorophenyl)furan-2-yl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(5-(3,4-dichlorophenyl)furan-2-yl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1023568-03-7.
The molecular formula of 3-(5-(3,4-dichlorophenyl)furan-2-yl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C28H20Cl2N2O4.
The molecular weight of 3-(5-(3,4-dichlorophenyl)furan-2-yl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 518.08 g/mol.
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