![(3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione structure](/static/products/956/956435-33-9.png)
(3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
TL;DR: (3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione (CAS 956435-33-9) is a chemical compound with molecular formula C25H25N3O3 and molecular weight 415.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[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)-2'-benzyl-6,7-dimethylspiro[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)-2'-benzyl-6,7-dimethyl-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)-2'-benzyl-6,7-dimethyl-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 | C25H25N3O3 |
|---|---|
| Molecular Weight | 415.19 g/mol |
| LogP | 2.73024 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 415.1896 |
| Heavy Atoms | 31 |
| Complexity | 1144.2013 |
Chemical Identifiers
| CAS Number | 956435-33-9 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)[C@@]3([C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)CC6=CC=CC=C6)C(=O)N2)C |
Product Overview
(3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione (CAS 956435-33-9), with molecular formula C25H25N3O3 and molecular weight 415.19 g/mol. IUPAC: (3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione.
Chemical Property Profile of (3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
Property Insights of (3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
The XLogP value of 2.73024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[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)-2'-benzyl-6,7-dimethylspiro[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.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione?
The CAS number of (3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione is 956435-33-9.
What is the molecular formula of (3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione?
The molecular formula of (3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione is C25H25N3O3.
What is the molecular weight of (3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione?
The molecular weight of (3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione is 415.19 g/mol.
Where can I buy (3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione?
You can request a quote for (3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione?
Yes, KEHONG BIO provides custom synthesis services for (3S,3'aR,8'aS,8'bS)-2'-benzyl-6,7-dimethylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.