TL;DR: 2'-(2,5-Dimethoxyphenyl)-1',2'-dihydro-1'-[4-(2-methylpropyl)benzoyl]spiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione (CAS 1217707-97-5) is a chemical compound with molecular formula C39H35NO5 and molecular weight 597.2515 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,5-dimethoxyphenyl)-1-[4-(2-methylpropyl)benzoyl]spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
Also Known As: 2'-(2,5-Dimethoxyphenyl)-1',2'-dihydro-1'-[4-(2-methylpropyl)benzoyl]spiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione, 2-(2,5-dimethoxyphenyl)-1-[4-(2-methylpropyl)benzoyl]spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione, 2a(2)-(2,5-Dimethoxyphenyl)-1a(2),2a(2)-dihydro-1a(2)-[4-(2-methylpropyl)benzoyl]spiro[2H-indene-2,3a(2)(3a(2)aH)-pyrrolo[1,2-a]quinoline]-1,3-dione
| Molecular Formula | C39H35NO5 |
| Molecular Weight | 597.2515 g/mol |
| XLogP | 8.0 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 597.2515 Da |
| Heavy Atoms | 45 |
| Complexity | 1130.0 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(=O)C2C(C3(C4N2C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6C3=O)C7=C(C=CC(=C7)OC)OC |
| InChIKey | KOOKTAXLQWADJT-UHFFFAOYSA-N |
The XLogP value of 8.0 indicates that 2'-(2,5-Dimethoxyphenyl)-1',2'-dihydro-1'-[4-(2-methylpropyl)benzoyl]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 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-(2,5-Dimethoxyphenyl)-1',2'-dihydro-1'-[4-(2-methylpropyl)benzoyl]spiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione. Following Lipinski's Rule of Five, 2'-(2,5-Dimethoxyphenyl)-1',2'-dihydro-1'-[4-(2-methylpropyl)benzoyl]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 2'-(2,5-Dimethoxyphenyl)-1',2'-dihydro-1'-[4-(2-methylpropyl)benzoyl]spiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione is 1217707-97-5.
The molecular formula of 2'-(2,5-Dimethoxyphenyl)-1',2'-dihydro-1'-[4-(2-methylpropyl)benzoyl]spiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione is C39H35NO5.
The molecular weight of 2'-(2,5-Dimethoxyphenyl)-1',2'-dihydro-1'-[4-(2-methylpropyl)benzoyl]spiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione is 597.2515 g/mol.
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