![(2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid structure](/static/products/902/902322-46-7.png)
(2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid
TL;DR: (2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid (CAS 902322-46-7) is a chemical compound with molecular formula C21H22N4O6 and molecular weight 426.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-7'-yl)amino]-4-oxobut-2-enoic acid
Also Known As: (2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid, (E)-4-((1,3-dimethyl-2,4,6-trioxo-2,2',3,3',3a',4,5',6-octahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino)-4-oxobut-2-enoic acid, (E)-4-[(1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-7'-yl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C21H22N4O6 |
|---|---|
| Molecular Weight | 426.15 g/mol |
| LogP | 0.8276 |
| Topological Polar Surface Area | 127.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.15393 |
| Heavy Atoms | 31 |
| Complexity | 1024.3055 |
Chemical Identifiers
| CAS Number | 902322-46-7 |
|---|---|
| SMILES | CN1C(=O)C2(CC3=C(C=CC(=C3)NC(=O)/C=C/C(=O)O)N4C2CCC4)C(=O)N(C1=O)C |
Product Overview
(2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid (CAS 902322-46-7), with molecular formula C21H22N4O6 and molecular weight 426.15 g/mol. IUPAC: (E)-4-[(1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-7'-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid
Property Insights of (2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid
The XLogP value of 0.8276 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid. The TPSA of 127.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid has 2 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 (2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid?
The CAS number of (2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid is 902322-46-7.
What is the molecular formula of (2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid?
The molecular formula of (2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid is C21H22N4O6.
What is the molecular weight of (2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid?
The molecular weight of (2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid is 426.15 g/mol.
Where can I buy (2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid?
You can request a quote for (2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-[(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.