TL;DR: 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(2-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1005150-42-4) 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.
5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(2-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(2-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, F1199-0149, 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(2-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(4-bromophenyl)-6-(4-methoxyphenyl)-5-(2-methylphenyl)-2,4,5,6,3a,6a-hexahyd ro-4-oxa-2,5-diazapentalene-1,3-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 | 704.0 |
| SMILES | CC1=CC=CC=C1N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)OC |
| InChIKey | KXBLFULCECQWAW-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(2-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-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, 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(2-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(2-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(2-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1005150-42-4.
The molecular formula of 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(2-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C25H21BrN2O4.
The molecular weight of 5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(2-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 492.06848 g/mol.
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