TL;DR: 3-(5-bromo-2-methoxyphenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1022740-96-0) is a chemical compound with molecular formula C25H21BrN2O4 and molecular weight 492.06848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-bromo-2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(5-bromo-2-methoxyphenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(5-bromo-2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(5-bromo-2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
| Molecular Formula | C25H21BrN2O4 |
| Molecular Weight | 492.06848 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.06848 Da |
| Heavy Atoms | 32 |
| Complexity | 706.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=C(C=CC(=C5)Br)OC |
| InChIKey | ZYUISDLOMKBHPH-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 3-(5-bromo-2-methoxyphenyl)-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. With a topological polar surface area (TPSA) of 59.1 Ų, 3-(5-bromo-2-methoxyphenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-bromo-2-methoxyphenyl)-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-bromo-2-methoxyphenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1022740-96-0.
The molecular formula of 3-(5-bromo-2-methoxyphenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C25H21BrN2O4.
The molecular weight of 3-(5-bromo-2-methoxyphenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 492.06848 g/mol.
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