![(1'S,3'S,3a'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-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/121/1212264-22-6.png)
(1'S,3'S,3a'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-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'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione (CAS 1212264-22-6) is a chemical compound with molecular formula C20H22ClN3O3 and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S,3aS,6aR)-7'-chloro-1-(2-methylpropyl)-5-prop-2-enylspiro[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'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione, (1S,3S,3aS,6aR)-7'-chloro-1-(2-methylpropyl)-5-prop-2-enylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione, (3S,3'S,3a'R,6a'S)-7-chloro-3'-(2-methylpropyl)-5'-(prop-2-en-1-yl)-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 | C20H22ClN3O3 |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 2.2925 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.13498 |
| Heavy Atoms | 27 |
| Complexity | 868.02795 |
Chemical Identifiers
| CAS Number | 1212264-22-6 |
|---|---|
| SMILES | CC(C)C[C@H]1[C@H]2[C@H](C(=O)N(C2=O)CC=C)[C@]3(N1)C4=C(C(=CC=C4)Cl)NC3=O |
Product Overview
(1'S,3'S,3a'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione (CAS 1212264-22-6), with molecular formula C20H22ClN3O3 and molecular weight 387.13 g/mol. IUPAC: (1S,3S,3aS,6aR)-7'-chloro-1-(2-methylpropyl)-5-prop-2-enylspiro[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'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-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'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-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 2.2925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1'S,3'S,3a'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-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'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-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'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-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'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-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'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione is 1212264-22-6.
What is the molecular formula of (1'S,3'S,3a'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-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'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione is C20H22ClN3O3.
What is the molecular weight of (1'S,3'S,3a'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-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'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione is 387.13 g/mol.
Where can I buy (1'S,3'S,3a'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-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'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-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'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-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'R,6a'S)-5'-allyl-7-chloro-3'-isobutyl-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.