TL;DR: 3-(5-bromo-2-hydroxyphenyl)-2-phenyl-5-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1022796-07-1) is a chemical compound with molecular formula C24H19BrN2O4 and molecular weight 478.05283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-bromo-2-hydroxyphenyl)-5-(2-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(5-bromo-2-hydroxyphenyl)-2-phenyl-5-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(5-bromo-2-hydroxyphenyl)-5-(2-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(5-bromo-2-hydroxyphenyl)-5-(2-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
| Molecular Formula | C24H19BrN2O4 |
| Molecular Weight | 478.05283 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.05283 Da |
| Heavy Atoms | 31 |
| Complexity | 699.0 |
| SMILES | CC1=CC=CC=C1N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=C(C=CC(=C5)Br)O |
| InChIKey | HSDWLWOJDSTNLY-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 3-(5-bromo-2-hydroxyphenyl)-2-phenyl-5-(o-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 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-bromo-2-hydroxyphenyl)-2-phenyl-5-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 3-(5-bromo-2-hydroxyphenyl)-2-phenyl-5-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(5-bromo-2-hydroxyphenyl)-2-phenyl-5-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1022796-07-1.
The molecular formula of 3-(5-bromo-2-hydroxyphenyl)-2-phenyl-5-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C24H19BrN2O4.
The molecular weight of 3-(5-bromo-2-hydroxyphenyl)-2-phenyl-5-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 478.05283 g/mol.
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