![3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide structure](/static/products/958/958965-46-3.png)
3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide
TL;DR: 3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide (CAS 958965-46-3) is a chemical compound with molecular formula C25H25ClN4O5 and molecular weight 496.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3aR,6aS)-6'-chloro-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide
Also Known As: 3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide, 3-[(3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide, 3-[(3aR,6aS)-6'-chloro-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide, REGID_for_CID_666687
| Molecular Formula | C25H25ClN4O5 |
|---|---|
| Molecular Weight | 496.15 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.15134 |
| Heavy Atoms | 35 |
| Complexity | 916.0 |
Chemical Identifiers
| CAS Number | 958965-46-3 |
|---|---|
| SMILES | CC1=C(C=CC2=C1NC(=O)C23[C@H]4[C@@H](C(N3)CCC(=O)N)C(=O)N(C4=O)CC5=CC=CC=C5OC)Cl |
| InChIKey | TZIYRSKDYRAYQK-KMXYGCORSA-N |
Product Overview
3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide (CAS 958965-46-3), with molecular formula C25H25ClN4O5 and molecular weight 496.15 g/mol. IUPAC: 3-[(3aR,6aS)-6'-chloro-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide.
Chemical Property Profile of 3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide
Property Insights of 3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide. Following Lipinski's Rule of Five, 3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide has 3 hydrogen bond donor(s) and 6 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 3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide?
The CAS number of 3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide is 958965-46-3.
What is the molecular formula of 3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide?
The molecular formula of 3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide is C25H25ClN4O5.
What is the molecular weight of 3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide?
The molecular weight of 3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide is 496.15 g/mol.
Where can I buy 3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide?
You can request a quote for 3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-((3a'S,6a'R)-6-chloro-5'-(2-methoxybenzyl)-7-methyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.