![(3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-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/958/958845-79-9.png)
(3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione
TL;DR: (3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione (CAS 958845-79-9) is a chemical compound with molecular formula C22H26ClN3O3S and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,6aS)-5'-chloro-5-cyclopentyl-7'-methyl-1-(2-methylsulfanylethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
Also Known As: (3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione, (3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-[2-(methylsulfanyl)ethyl]-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione, (3aR,6aS)-5'-chloro-5-cyclopentyl-7'-methyl-1-(2-methylsulfanylethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
| Molecular Formula | C22H26ClN3O3S |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.13834 |
| Heavy Atoms | 30 |
| Complexity | 760.0 |
Chemical Identifiers
| CAS Number | 958845-79-9 |
|---|---|
| SMILES | CC1=CC(=CC2=C1NC(=O)C23[C@H]4[C@@H](C(N3)CCSC)C(=O)N(C4=O)C5CCCC5)Cl |
| InChIKey | BFMZDHYCAYZMNW-IZCOPSDLSA-N |
Product Overview
(3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione (CAS 958845-79-9), with molecular formula C22H26ClN3O3S and molecular weight 447.14 g/mol. IUPAC: (3aR,6aS)-5'-chloro-5-cyclopentyl-7'-methyl-1-(2-methylsulfanylethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione.
Chemical Property Profile of (3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-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 (3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-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 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-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 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-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, (3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-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 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'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-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 (3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione is 958845-79-9.
What is the molecular formula of (3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-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 (3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione is C22H26ClN3O3S.
What is the molecular weight of (3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-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 (3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione is 447.14 g/mol.
Where can I buy (3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-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 (3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-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 (3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-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 (3a'S,6a'R)-5-chloro-5'-cyclopentyl-7-methyl-3'-(2-(methylthio)ethyl)-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.