TL;DR: 3-(5-(2,5-dichlorophenyl)furan-2-yl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1022454-65-4) is a chemical compound with molecular formula C27H18Cl2N2O4 and molecular weight 504.06436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-(2,5-dichlorophenyl)furan-2-yl]-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(5-(2,5-dichlorophenyl)furan-2-yl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-[5-(2,5-dichlorophenyl)furan-2-yl]-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-[5-(2,5-dichlorophenyl)furan-2-yl]-2,5-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 8-[5-(2,5-dichlorophenyl)-2-furyl]-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
| Molecular Formula | C27H18Cl2N2O4 |
| Molecular Weight | 504.06436 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 63.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 504.06436 Da |
| Heavy Atoms | 35 |
| Complexity | 802.0 |
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=C(O5)C6=C(C=CC(=C6)Cl)Cl |
| InChIKey | WKXZDSIZVUCERD-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that 3-(5-(2,5-dichlorophenyl)furan-2-yl)-2,5-diphenyldihydro-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-(2,5-dichlorophenyl)furan-2-yl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 3-(5-(2,5-dichlorophenyl)furan-2-yl)-2,5-diphenyldihydro-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-(2,5-dichlorophenyl)furan-2-yl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1022454-65-4.
The molecular formula of 3-(5-(2,5-dichlorophenyl)furan-2-yl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C27H18Cl2N2O4.
The molecular weight of 3-(5-(2,5-dichlorophenyl)furan-2-yl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 504.06436 g/mol.
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