TL;DR: 2-phenyl-5-(4-propoxyphenyl)-3-(4-(trifluoromethoxy)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1023247-44-0) is a chemical compound with molecular formula C27H23F3N2O5 and molecular weight 512.1559 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-5-(4-propoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 2-phenyl-5-(4-propoxyphenyl)-3-(4-(trifluoromethoxy)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 2-phenyl-5-(4-propoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-phenyl-5-(4-propoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
| Molecular Formula | C27H23F3N2O5 |
| Molecular Weight | 512.1559 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.1559 Da |
| Heavy Atoms | 37 |
| Complexity | 804.0 |
| SMILES | CCCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC(F)(F)F |
| InChIKey | XBGLYYZHIOZHGA-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that 2-phenyl-5-(4-propoxyphenyl)-3-(4-(trifluoromethoxy)phenyl)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 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenyl-5-(4-propoxyphenyl)-3-(4-(trifluoromethoxy)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 2-phenyl-5-(4-propoxyphenyl)-3-(4-(trifluoromethoxy)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-phenyl-5-(4-propoxyphenyl)-3-(4-(trifluoromethoxy)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1023247-44-0.
The molecular formula of 2-phenyl-5-(4-propoxyphenyl)-3-(4-(trifluoromethoxy)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C27H23F3N2O5.
The molecular weight of 2-phenyl-5-(4-propoxyphenyl)-3-(4-(trifluoromethoxy)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 512.1559 g/mol.
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