TL;DR: (1'R,2'R,3a'S)-1'-(2,2-dimethylpropanoyl)-2'-(4-methoxyphenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione (CAS 1216945-22-0) is a chemical compound with molecular formula C32H29NO4 and molecular weight 491.20966 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2R,3aS)-1-(2,2-dimethylpropanoyl)-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
Also Known As: (1'R,2'R,3a'S)-1'-(2,2-dimethylpropanoyl)-2'-(4-methoxyphenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione, (1'R,2'R,3a'S)-2'-(4-methoxyphenyl)-1'-pivaloyl-2',3a'-dihydro-1'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione, (1R,2R,3aS)-1-(2,2-dimethylpropanoyl)-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
| Molecular Formula | C32H29NO4 |
| Molecular Weight | 491.20966 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.20966 Da |
| Heavy Atoms | 37 |
| Complexity | 946.0 |
| SMILES | CC(C)(C)C(=O)[C@H]1[C@@H](C2([C@H]3N1C4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)OC |
| InChIKey | OPHHBYXBFLPOJE-GMQQYTKMSA-N |
The XLogP value of 6.1 indicates that (1'R,2'R,3a'S)-1'-(2,2-dimethylpropanoyl)-2'-(4-methoxyphenyl)-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. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (1'R,2'R,3a'S)-1'-(2,2-dimethylpropanoyl)-2'-(4-methoxyphenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione. Following Lipinski's Rule of Five, (1'R,2'R,3a'S)-1'-(2,2-dimethylpropanoyl)-2'-(4-methoxyphenyl)-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 (1'R,2'R,3a'S)-1'-(2,2-dimethylpropanoyl)-2'-(4-methoxyphenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione is 1216945-22-0.
The molecular formula of (1'R,2'R,3a'S)-1'-(2,2-dimethylpropanoyl)-2'-(4-methoxyphenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione is C32H29NO4.
The molecular weight of (1'R,2'R,3a'S)-1'-(2,2-dimethylpropanoyl)-2'-(4-methoxyphenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione is 491.20966 g/mol.
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