![(3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione structure](/static/products/101/1013783-07-7.png)
(3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione
TL;DR: (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione (CAS 1013783-07-7) is a chemical compound with molecular formula C25H24N4O5 and molecular weight 460.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione
Also Known As: (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione, (3S,3a'R,8a'S,8b'S)-1-ethyl-2'-(2-methyl-5-nitrophenyl)-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 | C25H24N4O5 |
|---|---|
| Molecular Weight | 460.17 g/mol |
| LogP | 2.74882 |
| Topological Polar Surface Area | 104.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.17468 |
| Heavy Atoms | 34 |
| Complexity | 1291.8171 |
Chemical Identifiers
| CAS Number | 1013783-07-7 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2[C@]3(C1=O)[C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=C(C=CC(=C6)[N+](=O)[O-])C |
Product Overview
(3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione (CAS 1013783-07-7), with molecular formula C25H24N4O5 and molecular weight 460.17 g/mol. IUPAC: (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione.
Chemical Property Profile of (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione
Property Insights of (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione
The XLogP value of 2.74882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione. The TPSA of 104.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione. Following Lipinski's Rule of Five, (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione has 0 hydrogen bond donor(s) and 6 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 (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione?
The CAS number of (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione is 1013783-07-7.
What is the molecular formula of (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione?
The molecular formula of (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione is C25H24N4O5.
What is the molecular weight of (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione?
The molecular weight of (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione is 460.17 g/mol.
Where can I buy (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione?
You can request a quote for (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-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 (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione?
Yes, KEHONG BIO provides custom synthesis services for (3aR,4S,8aS,8bS)-1'-ethyl-2-(2-methyl-5-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.