TL;DR: C24H18BrN3O6 (CAS 1023156-39-9) is a chemical compound with molecular formula C24H18BrN3O6 and molecular weight 523.0379 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-bromophenyl)-3-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-(4-bromophenyl)-3-(3-methoxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(4-bromophenyl)-3-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-bromophenyl)-3-(3-methoxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C24H18BrN3O6 |
| Molecular Weight | 523.0379 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 523.0379 Da |
| Heavy Atoms | 34 |
| Complexity | 800.0 |
| SMILES | COC1=CC=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)ON2C5=CC(=CC=C5)[N+](=O)[O-] |
| InChIKey | XXNYYPINKCEHAO-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that C24H18BrN3O6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C24H18BrN3O6. Following Lipinski's Rule of Five, C24H18BrN3O6 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of C24H18BrN3O6 is 1023156-39-9.
The molecular formula of C24H18BrN3O6 is C24H18BrN3O6.
The molecular weight of C24H18BrN3O6 is 523.0379 g/mol.
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