![4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide structure](/static/products/956/956249-64-2.png)
4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide
TL;DR: 4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide (CAS 956249-64-2) is a chemical compound with molecular formula C28H23ClN4O4 and molecular weight 514.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1S,3R,3aR,6aS)-1-benzyl-6'-chloro-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]benzamide
Also Known As: 4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide, 4-[(1S,3R,3aR,6aS)-1-benzyl-6'-chloro-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]benzamide, 4-[(3R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]benzamide
| Molecular Formula | C28H23ClN4O4 |
|---|---|
| Molecular Weight | 514.14 g/mol |
| LogP | 2.91502 |
| Topological Polar Surface Area | 121.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 514.1408 |
| Heavy Atoms | 37 |
| Complexity | 1490.0219 |
Chemical Identifiers
| CAS Number | 956249-64-2 |
|---|---|
| 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)N)Cl |
Product Overview
4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide (CAS 956249-64-2), with molecular formula C28H23ClN4O4 and molecular weight 514.14 g/mol. IUPAC: 4-[(1S,3R,3aR,6aS)-1-benzyl-6'-chloro-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]benzamide.
Chemical Property Profile of 4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide
Property Insights of 4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide
The XLogP value of 2.91502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide. The TPSA of 121.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide. Following Lipinski's Rule of Five, 4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide has 3 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 4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide?
The CAS number of 4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide is 956249-64-2.
What is the molecular formula of 4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide?
The molecular formula of 4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide is C28H23ClN4O4.
What is the molecular weight of 4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide?
The molecular weight of 4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide is 514.14 g/mol.
Where can I buy 4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide?
You can request a quote for 4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-((1'R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-7-methyl-2,4',6'-trioxo-3a',4',6',6a'-tetrahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-5'(3'H)-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.