![(3a'R,8a'S,8b'S)-2'-(4-chlorophenyl)-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/101/1014067-04-9.png)
(3a'R,8a'S,8b'S)-2'-(4-chlorophenyl)-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'-(4-chlorophenyl)-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 1014067-04-9) is a chemical compound with molecular formula C23H17ClN2O4 and molecular weight 420.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,8aS,8bS)-2-(4-chlorophenyl)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'-(4-chlorophenyl)-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'-(4-chlorophenyl)-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-(4-chlorophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,2'-indene]-1,1',3,3'-tetrone
| Molecular Formula | C23H17ClN2O4 |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 2.7416 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 420.08768 |
| Heavy Atoms | 30 |
| Complexity | 1123.048 |
Chemical Identifiers
| CAS Number | 1014067-04-9 |
|---|---|
| SMILES | C1C[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5(N2C1)C(=O)C6=CC=CC=C6C5=O |
Product Overview
(3a'R,8a'S,8b'S)-2'-(4-chlorophenyl)-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 1014067-04-9), with molecular formula C23H17ClN2O4 and molecular weight 420.09 g/mol. IUPAC: (3aR,8aS,8bS)-2-(4-chlorophenyl)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'-(4-chlorophenyl)-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'-(4-chlorophenyl)-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 2.7416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3a'R,8a'S,8b'S)-2'-(4-chlorophenyl)-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 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (3a'R,8a'S,8b'S)-2'-(4-chlorophenyl)-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'-(4-chlorophenyl)-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 5 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'-(4-chlorophenyl)-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'-(4-chlorophenyl)-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 1014067-04-9.
What is the molecular formula of (3a'R,8a'S,8b'S)-2'-(4-chlorophenyl)-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'-(4-chlorophenyl)-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 C23H17ClN2O4.
What is the molecular weight of (3a'R,8a'S,8b'S)-2'-(4-chlorophenyl)-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'-(4-chlorophenyl)-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 420.09 g/mol.
Where can I buy (3a'R,8a'S,8b'S)-2'-(4-chlorophenyl)-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'-(4-chlorophenyl)-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'-(4-chlorophenyl)-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'-(4-chlorophenyl)-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.