TL;DR: C24H17BrN4O9 (CAS 1024447-13-9) is a chemical compound with molecular formula C24H17BrN4O9 and molecular weight 584.0179 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-nitrophenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-nitrophenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, C24H17BrN4O9
| Molecular Formula | C24H17BrN4O9 |
| Molecular Weight | 584.0179 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 584.0179 Da |
| Heavy Atoms | 38 |
| Complexity | 952.0 |
| SMILES | COC1=C(C(=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])ON2C5=CC(=CC=C5)[N+](=O)[O-])Br)O |
| InChIKey | PMOFEUADORFXTM-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that C24H17BrN4O9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting C24H17BrN4O9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C24H17BrN4O9 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of C24H17BrN4O9 is 1024447-13-9.
The molecular formula of C24H17BrN4O9 is C24H17BrN4O9.
The molecular weight of C24H17BrN4O9 is 584.0179 g/mol.
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