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2'-(1,3-benzodioxol-5-yl)-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 structure
Fine Chemical

2'-(1,3-benzodioxol-5-yl)-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

TL;DR: 2'-(1,3-benzodioxol-5-yl)-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 (CAS 1212301-89-7) is a chemical compound with molecular formula C23H19N3O5 and molecular weight 417.13248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione

Also Known As: 2'-(1,3-benzodioxol-5-yl)-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, 2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione

CAS Number
1212301-89-7
Molecular Formula
C23H19N3O5
Molecular Weight
417.13248 g/mol
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Technical Specifications

Molecular FormulaC23H19N3O5
Molecular Weight417.13248 g/mol
XLogP1.5
Topological Polar Surface Area (TPSA)88.2 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors6
Rotatable Bonds1
Exact Mass417.13248 Da
Heavy Atoms31
Complexity849.0
SMILESC1CC2C3C(C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)C6(N2C1)C7=CC=CC=C7NC6=O
InChIKeyBIFWRLIMBVQLOC-UHFFFAOYSA-N

Chemical Property Profile of 2'-(1,3-benzodioxol-5-yl)-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

XLogP
1.5
TPSA (Topological Polar Surface Area)
88.2
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
Rotatable Bonds
1
Heavy Atoms
31
Complexity
849.0
Exact Mass
417.13248
Monoisotopic Mass
417.13248
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2'-(1,3-benzodioxol-5-yl)-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

The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-(1,3-benzodioxol-5-yl)-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. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-(1,3-benzodioxol-5-yl)-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. Following Lipinski's Rule of Five, 2'-(1,3-benzodioxol-5-yl)-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 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 2'-(1,3-benzodioxol-5-yl)-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?

The CAS number of 2'-(1,3-benzodioxol-5-yl)-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 is 1212301-89-7.

What is the molecular formula of 2'-(1,3-benzodioxol-5-yl)-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?

The molecular formula of 2'-(1,3-benzodioxol-5-yl)-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 is C23H19N3O5.

What is the molecular weight of 2'-(1,3-benzodioxol-5-yl)-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?

The molecular weight of 2'-(1,3-benzodioxol-5-yl)-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 is 417.13248 g/mol.

Where can I buy 2'-(1,3-benzodioxol-5-yl)-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?

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Does CoreyChem offer custom synthesis for 2'-(1,3-benzodioxol-5-yl)-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?

Yes, CoreyChem provides custom synthesis services for 2'-(1,3-benzodioxol-5-yl)-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 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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