![(3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone structure](/static/products/101/1014068-18-8.png)
(3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone
TL;DR: (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone (CAS 1014068-18-8) is a chemical compound with molecular formula C23H17N3O6 and molecular weight 431.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,8aS,8bS)-2-(3-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,2'-indene]-1,1',3,3'-tetrone
Also Known As: (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone, (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-6',7',8',8a'-tetrahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H,3a'H,8b'H)-tetraone, (3aR,8aS,8bS)-2-(3-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,2'-indene]-1,1',3,3'-tetrone
| Molecular Formula | C23H17N3O6 |
|---|---|
| Molecular Weight | 431.11 g/mol |
| LogP | 1.9964 |
| Topological Polar Surface Area | 117.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 431.11172 |
| Heavy Atoms | 32 |
| Complexity | 1234.8829 |
Chemical Identifiers
| CAS Number | 1014068-18-8 |
|---|---|
| SMILES | C1C[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C5(N2C1)C(=O)C6=CC=CC=C6C5=O |
Product Overview
(3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone (CAS 1014068-18-8), with molecular formula C23H17N3O6 and molecular weight 431.11 g/mol. IUPAC: (3aR,8aS,8bS)-2-(3-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,2'-indene]-1,1',3,3'-tetrone.
Chemical Property Profile of (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone
Property Insights of (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone
The XLogP value of 1.9964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone. The TPSA of 117.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone. Following Lipinski's Rule of Five, (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone has 0 hydrogen bond donor(s) and 7 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 (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone?
The CAS number of (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone is 1014068-18-8.
What is the molecular formula of (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone?
The molecular formula of (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone is C23H17N3O6.
What is the molecular weight of (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone?
The molecular weight of (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone is 431.11 g/mol.
Where can I buy (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone?
You can request a quote for (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone?
Yes, KEHONG BIO provides custom synthesis services for (3a'R,8a'S,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.