TL;DR: (3S,3'aR,8'aS,8'bS)-7-ethyl-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione (CAS 1212473-43-2) is a chemical compound with molecular formula C24H23N3O3 and molecular weight 401.17395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,3'aR,8'aS,8'bS)-7-ethyl-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
Also Known As: (3S,3'aR,8'aS,8'bS)-7-ethyl-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione, (3S,3a'R,8a'S,8b'S)-7-ethyl-2'-phenyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione, (3S,3a'R,8a'S,8b'S)-7-ethyl-2'-phenyl-6',7',8',8a'-tetrahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(2'H,3a'H,8b'H)-trione
| Molecular Formula | C24H23N3O3 |
| Molecular Weight | 401.17395 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.17395 Da |
| Heavy Atoms | 30 |
| Complexity | 778.0 |
| SMILES | CCC1=C2C(=CC=C1)[C@@]3([C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=CC=CC=C6)C(=O)N2 |
| InChIKey | QSNKAOAAKMZRRJ-UAKAABGRSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,3'aR,8'aS,8'bS)-7-ethyl-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,3'aR,8'aS,8'bS)-7-ethyl-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione. Following Lipinski's Rule of Five, (3S,3'aR,8'aS,8'bS)-7-ethyl-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3S,3'aR,8'aS,8'bS)-7-ethyl-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione is 1212473-43-2.
The molecular formula of (3S,3'aR,8'aS,8'bS)-7-ethyl-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione is C24H23N3O3.
The molecular weight of (3S,3'aR,8'aS,8'bS)-7-ethyl-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione is 401.17395 g/mol.
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