![3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid structure](/static/products/956/956249-63-1.png)
3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid
TL;DR: 3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid (CAS 956249-63-1) is a chemical compound with molecular formula C22H18BrN3O5 and molecular weight 483.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1S,3R,3aR,6aS)-5-(4-bromophenyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanoic acid
Also Known As: 3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid, 3-[(1S,3R,3aR,6aS)-5-(4-bromophenyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanoic acid, 3-[(3R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-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]propanoic acid
| Molecular Formula | C22H18BrN3O5 |
|---|---|
| Molecular Weight | 483.04 g/mol |
| LogP | 2.2389 |
| Topological Polar Surface Area | 115.81 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.04297 |
| Heavy Atoms | 31 |
| Complexity | 1134.2212 |
Chemical Identifiers
| CAS Number | 956249-63-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)[C@]3([C@H]4[C@@H]([C@@H](N3)CCC(=O)O)C(=O)N(C4=O)C5=CC=C(C=C5)Br)C(=O)N2 |
Product Overview
3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid (CAS 956249-63-1), with molecular formula C22H18BrN3O5 and molecular weight 483.04 g/mol. IUPAC: 3-[(1S,3R,3aR,6aS)-5-(4-bromophenyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanoic acid.
Chemical Property Profile of 3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid
Property Insights of 3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid
The XLogP value of 2.2389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid. The TPSA of 115.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid. Following Lipinski's Rule of Five, 3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid has 3 hydrogen bond donor(s) and 5 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-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid?
The CAS number of 3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid is 956249-63-1.
What is the molecular formula of 3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid?
The molecular formula of 3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid is C22H18BrN3O5.
What is the molecular weight of 3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid?
The molecular weight of 3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid is 483.04 g/mol.
Where can I buy 3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid?
You can request a quote for 3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((1'R,3'S,3a'S,6a'R)-5'-(4-bromophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.