TL;DR: 7'-Bromo-1'-(2,2-dimethyl-1-oxopropyl)-1',2'-dihydro-2'-(4-nitrophenyl)spiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione (CAS 1217733-18-0) is a chemical compound with molecular formula C31H25BrN2O5 and molecular weight 584.09467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-bromo-1-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
Also Known As: 7'-Bromo-1'-(2,2-dimethyl-1-oxopropyl)-1',2'-dihydro-2'-(4-nitrophenyl)spiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione, 7-bromo-1-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione, 7a(2)-Bromo-1a(2)-(2,2-dimethyl-1-oxopropyl)-1a(2),2a(2)-dihydro-2a(2)-(4-nitrophenyl)spiro[2H-indene-2,3a(2)(3a(2)aH)-pyrrolo[1,2-a]quinoline]-1,3-dione
| Molecular Formula | C31H25BrN2O5 |
| Molecular Weight | 584.09467 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 584.09467 Da |
| Heavy Atoms | 39 |
| Complexity | 1060.0 |
| SMILES | CC(C)(C)C(=O)C1C(C2(C3N1C4=C(C=C3)C=C(C=C4)Br)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)[N+](=O)[O-] |
| InChIKey | SQSAJDOXKVJWGV-UHFFFAOYSA-N |
The XLogP value of 6.7 indicates that 7'-Bromo-1'-(2,2-dimethyl-1-oxopropyl)-1',2'-dihydro-2'-(4-nitrophenyl)spiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7'-Bromo-1'-(2,2-dimethyl-1-oxopropyl)-1',2'-dihydro-2'-(4-nitrophenyl)spiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione. Following Lipinski's Rule of Five, 7'-Bromo-1'-(2,2-dimethyl-1-oxopropyl)-1',2'-dihydro-2'-(4-nitrophenyl)spiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 7'-Bromo-1'-(2,2-dimethyl-1-oxopropyl)-1',2'-dihydro-2'-(4-nitrophenyl)spiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione is 1217733-18-0.
The molecular formula of 7'-Bromo-1'-(2,2-dimethyl-1-oxopropyl)-1',2'-dihydro-2'-(4-nitrophenyl)spiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione is C31H25BrN2O5.
The molecular weight of 7'-Bromo-1'-(2,2-dimethyl-1-oxopropyl)-1',2'-dihydro-2'-(4-nitrophenyl)spiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione is 584.09467 g/mol.
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