TL;DR: 1'-[(2-chlorophenyl)carbonyl]-7'-fluoro-2'-(2-fluorophenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione (CAS 1217603-73-0) is a chemical compound with molecular formula C33H20ClF2NO3 and molecular weight 551.11 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chlorobenzoyl)-7-fluoro-2-(2-fluorophenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
Also Known As: 1'-[(2-chlorophenyl)carbonyl]-7'-fluoro-2'-(2-fluorophenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione, 1-(2-chlorobenzoyl)-7-fluoro-2-(2-fluorophenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
| Molecular Formula | C33H20ClF2NO3 |
| Molecular Weight | 551.11 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 551.11 Da |
| Heavy Atoms | 40 |
| Complexity | 1060.0 |
| SMILES | C1=CC=C(C(=C1)C2C(N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)F)C(=O)C7=CC=CC=C7Cl)F |
| InChIKey | WOKIQPUVJPPJIL-UHFFFAOYSA-N |
The XLogP value of 7.2 indicates that 1'-[(2-chlorophenyl)carbonyl]-7'-fluoro-2'-(2-fluorophenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 1'-[(2-chlorophenyl)carbonyl]-7'-fluoro-2'-(2-fluorophenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1'-[(2-chlorophenyl)carbonyl]-7'-fluoro-2'-(2-fluorophenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-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 1'-[(2-chlorophenyl)carbonyl]-7'-fluoro-2'-(2-fluorophenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione is 1217603-73-0.
The molecular formula of 1'-[(2-chlorophenyl)carbonyl]-7'-fluoro-2'-(2-fluorophenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione is C33H20ClF2NO3.
The molecular weight of 1'-[(2-chlorophenyl)carbonyl]-7'-fluoro-2'-(2-fluorophenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione is 551.11 g/mol.
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