![2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide structure](/static/products/956/956249-38-0.png)
2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide
TL;DR: 2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide (CAS 956249-38-0) is a chemical compound with molecular formula C23H20N4O6 and molecular weight 448.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1S,3R,3aR,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
Also Known As: 2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide, 2-[(1S,3R,3aR,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide, 2-[(3R,3'S,3a'S,6a'R)-5'-(1,3-benzodioxol-5-ylmethyl)-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]acetamide
| Molecular Formula | C23H20N4O6 |
|---|---|
| Molecular Weight | 448.14 g/mol |
| LogP | 0.2113 |
| Topological Polar Surface Area | 140.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.13828 |
| Heavy Atoms | 33 |
| Complexity | 1245.2075 |
Chemical Identifiers
| CAS Number | 956249-38-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C(=O)[C@@H]4[C@@H](N[C@]5([C@@H]4C3=O)C6=CC=CC=C6NC5=O)CC(=O)N |
Product Overview
2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide (CAS 956249-38-0), with molecular formula C23H20N4O6 and molecular weight 448.14 g/mol. IUPAC: 2-[(1S,3R,3aR,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide.
Chemical Property Profile of 2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide
Property Insights of 2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide
The XLogP value of 0.2113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide. The TPSA of 140.06 Ų indicates high polarity, suggesting 2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide has 3 hydrogen bond donor(s) and 7 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 2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide?
The CAS number of 2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide is 956249-38-0.
What is the molecular formula of 2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide?
The molecular formula of 2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide is C23H20N4O6.
What is the molecular weight of 2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide?
The molecular weight of 2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide is 448.14 g/mol.
Where can I buy 2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide?
You can request a quote for 2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.