![(1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-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/101/1014091-12-3.png)
(1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-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'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-methyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione (CAS 1014091-12-3) is a chemical compound with molecular formula C27H28ClN3O3 and molecular weight 477.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,3aR,6aS)-1-benzyl-6'-chloro-5-cyclohexyl-7'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
Also Known As: (1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-methyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione, (1S,3R,3aR,6aS)-1-benzyl-6'-chloro-5-cyclohexyl-7'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione, (3R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
| Molecular Formula | C27H28ClN3O3 |
|---|---|
| Molecular Weight | 477.18 g/mol |
| LogP | 3.94422 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 477.18192 |
| Heavy Atoms | 34 |
| Complexity | 1193.1066 |
Chemical Identifiers
| CAS Number | 1014091-12-3 |
|---|---|
| SMILES | CC1=C(C=CC2=C1NC(=O)[C@@]23[C@H]4[C@@H]([C@@H](N3)CC5=CC=CC=C5)C(=O)N(C4=O)C6CCCCC6)Cl |
Product Overview
(1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-methyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione (CAS 1014091-12-3), with molecular formula C27H28ClN3O3 and molecular weight 477.18 g/mol. IUPAC: (1S,3R,3aR,6aS)-1-benzyl-6'-chloro-5-cyclohexyl-7'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione.
Chemical Property Profile of (1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-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'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-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 3.94422 indicates that (1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-methyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-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'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-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'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-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'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-methyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione is 1014091-12-3.
What is the molecular formula of (1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-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'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-methyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione is C27H28ClN3O3.
What is the molecular weight of (1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-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'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-methyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione is 477.18 g/mol.
Where can I buy (1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-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'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-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'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-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'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-cyclohexyl-7-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.