TL;DR: C27H24BrN3O7 (CAS 1024322-34-6) is a chemical compound with molecular formula C27H24BrN3O7 and molecular weight 581.0798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, C27H24BrN3O7
| Molecular Formula | C27H24BrN3O7 |
| Molecular Weight | 581.0798 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 581.0798 Da |
| Heavy Atoms | 38 |
| Complexity | 894.0 |
| SMILES | CCC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC(=C(C(=C5)Br)O)OCC |
| InChIKey | PWBCNOWNLUBNBZ-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that C27H24BrN3O7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H24BrN3O7. Following Lipinski's Rule of Five, C27H24BrN3O7 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of C27H24BrN3O7 is 1024322-34-6.
The molecular formula of C27H24BrN3O7 is C27H24BrN3O7.
The molecular weight of C27H24BrN3O7 is 581.0798 g/mol.
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