TL;DR: 3-(3-bromo-4-methoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1023564-47-7) is a chemical compound with molecular formula C26H23BrN2O5 and molecular weight 522.07904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-bromo-4-methoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(3-bromo-4-methoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(3-bromo-4-methoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(3-bromo-4-methoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C26H23BrN2O5 |
| Molecular Weight | 522.07904 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.07904 Da |
| Heavy Atoms | 34 |
| Complexity | 747.0 |
| SMILES | CCOC1=CC=CC(=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)Br |
| InChIKey | LZOAYYBRTWSPBI-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 3-(3-bromo-4-methoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-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 3-(3-bromo-4-methoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 3-(3-bromo-4-methoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(3-bromo-4-methoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1023564-47-7.
The molecular formula of 3-(3-bromo-4-methoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C26H23BrN2O5.
The molecular weight of 3-(3-bromo-4-methoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 522.07904 g/mol.
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