![(1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione structure](/static/products/121/1212342-24-9.png)
(1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione
TL;DR: (1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione (CAS 1212342-24-9) is a chemical compound with molecular formula C20H16N4O5 and molecular weight 392.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3aR,6aS)-5-(2-methyl-5-nitrophenyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
Also Known As: (1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione, (3S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione, (3S,3aR,6aS)-5-(2-methyl-5-nitrophenyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione, 3'-(2-methyl-5-nitro-phenyl)spiro[1H-indole-3,8'-3,7-diazabicyclo[3.3.0]octane]-2,2',4'-trione
| Molecular Formula | C20H16N4O5 |
|---|---|
| Molecular Weight | 392.11 g/mol |
| LogP | 1.45962 |
| Topological Polar Surface Area | 121.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.11206 |
| Heavy Atoms | 29 |
| Complexity | 1129.6047 |
Chemical Identifiers
| CAS Number | 1212342-24-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@@H]3CN[C@@]4([C@@H]3C2=O)C5=CC=CC=C5NC4=O |
Product Overview
(1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione (CAS 1212342-24-9), with molecular formula C20H16N4O5 and molecular weight 392.11 g/mol. IUPAC: (3S,3aR,6aS)-5-(2-methyl-5-nitrophenyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione.
Chemical Property Profile of (1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione
Property Insights of (1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione
The XLogP value of 1.45962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione. The TPSA of 121.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione. Following Lipinski's Rule of Five, (1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione has 2 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 (1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione?
The CAS number of (1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione is 1212342-24-9.
What is the molecular formula of (1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione?
The molecular formula of (1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione is C20H16N4O5.
What is the molecular weight of (1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione?
The molecular weight of (1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione is 392.11 g/mol.
Where can I buy (1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione?
You can request a quote for (1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (1'S,3a'S,6a'R)-5'-(2-methyl-5-nitrophenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.