![(1'S,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-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/956/956272-72-3.png)
(1'S,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-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,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione (CAS 956272-72-3) is a chemical compound with molecular formula C20H16ClN3O3 and molecular weight 381.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S,3aR,6aS)-5-(4-chlorophenyl)-1-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
Also Known As: (1'S,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione, (1S,3S,3aR,6aS)-5-(4-chlorophenyl)-1-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione, (3S,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione, 3'-(4-chlorophenyl)-6'-methyl-spiro[1H-indole-3,8'-3,7-diazabicyclo[3.3.0]octane]-2,2',4'-trione
| Molecular Formula | C20H16ClN3O3 |
|---|---|
| Molecular Weight | 381.09 g/mol |
| LogP | 2.2849 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 381.088 |
| Heavy Atoms | 27 |
| Complexity | 1005.78644 |
Chemical Identifiers
| CAS Number | 956272-72-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3=CC=C(C=C3)Cl)[C@]4(N1)C5=CC=CC=C5NC4=O |
Product Overview
(1'S,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione (CAS 956272-72-3), with molecular formula C20H16ClN3O3 and molecular weight 381.09 g/mol. IUPAC: (1S,3S,3aR,6aS)-5-(4-chlorophenyl)-1-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione.
Chemical Property Profile of (1'S,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-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,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-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 2.2849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1'S,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-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 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (1'S,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-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,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-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 4 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,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-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,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione is 956272-72-3.
What is the molecular formula of (1'S,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-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,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione is C20H16ClN3O3.
What is the molecular weight of (1'S,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-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,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione is 381.09 g/mol.
Where can I buy (1'S,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-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,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-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,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-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,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-methyl-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.