![(1'R,3'S,3a'S,6a'R)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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/956/956249-29-9.png)
(1'R,3'S,3a'S,6a'R)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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 956249-29-9) is a chemical compound with molecular formula C29H24ClN3O4 and molecular weight 513.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,3aR,6aS)-5-(4-acetylphenyl)-1-benzyl-6'-chloro-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)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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)-5-(4-acetylphenyl)-1-benzyl-6'-chloro-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)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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 | C29H24ClN3O4 |
|---|---|
| Molecular Weight | 513.15 g/mol |
| LogP | 4.01872 |
| Topological Polar Surface Area | 95.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 513.1455 |
| Heavy Atoms | 37 |
| Complexity | 1486.9915 |
Chemical Identifiers
| CAS Number | 956249-29-9 |
|---|---|
| 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)C6=CC=C(C=C6)C(=O)C)Cl |
Product Overview
(1'R,3'S,3a'S,6a'R)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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 956249-29-9), with molecular formula C29H24ClN3O4 and molecular weight 513.15 g/mol. IUPAC: (1S,3R,3aR,6aS)-5-(4-acetylphenyl)-1-benzyl-6'-chloro-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)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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 4.01872 indicates that (1'R,3'S,3a'S,6a'R)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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 95.58 Ų falls within the moderate polarity range, balancing permeability and solubility for (1'R,3'S,3a'S,6a'R)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1'R,3'S,3a'S,6a'R)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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 956249-29-9.
What is the molecular formula of (1'R,3'S,3a'S,6a'R)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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 C29H24ClN3O4.
What is the molecular weight of (1'R,3'S,3a'S,6a'R)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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 513.15 g/mol.
Where can I buy (1'R,3'S,3a'S,6a'R)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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)-5'-(4-acetylphenyl)-3'-benzyl-6-chloro-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.