TL;DR: 2'-(2-chlorophenyl)-7'-fluoro-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione (CAS 1217805-13-4) is a chemical compound with molecular formula C33H21ClFNO3 and molecular weight 533.1194 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzoyl-2-(2-chlorophenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
Also Known As: 2'-(2-chlorophenyl)-7'-fluoro-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione, 1-benzoyl-2-(2-chlorophenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione, 1a(2)-Benzoyl-2a(2)-(2-chlorophenyl)-7a(2)-fluoro-1a(2),2a(2)-dihydrospiro[2H-indene-2,3a(2)(3a(2)aH)-pyrrolo[1,2-a]quinoline]-1,3-dione
| Molecular Formula | C33H21ClFNO3 |
| Molecular Weight | 533.1194 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 533.1194 Da |
| Heavy Atoms | 39 |
| Complexity | 1010.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2C(C3(C4N2C5=C(C=C4)C=C(C=C5)F)C(=O)C6=CC=CC=C6C3=O)C7=CC=CC=C7Cl |
| InChIKey | DVVAXMDLUKAOAV-UHFFFAOYSA-N |
The XLogP value of 7.1 indicates that 2'-(2-chlorophenyl)-7'-fluoro-1'-(phenylcarbonyl)-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, 2'-(2-chlorophenyl)-7'-fluoro-1'-(phenylcarbonyl)-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, 2'-(2-chlorophenyl)-7'-fluoro-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2'-(2-chlorophenyl)-7'-fluoro-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione is 1217805-13-4.
The molecular formula of 2'-(2-chlorophenyl)-7'-fluoro-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione is C33H21ClFNO3.
The molecular weight of 2'-(2-chlorophenyl)-7'-fluoro-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione is 533.1194 g/mol.
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