![1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione structure](/static/products/879/879446-75-0.png)
1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
TL;DR: 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione (CAS 879446-75-0) is a chemical compound with molecular formula C22H22N6O5 and molecular weight 450.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8'-nitro-3'-pyridin-2-ylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Also Known As: 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione, 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione, 1,3-dimethyl-8'-nitro-3'-pyridin-2-ylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
| Molecular Formula | C22H22N6O5 |
|---|---|
| Molecular Weight | 450.17 g/mol |
| LogP | 1.2779 |
| Topological Polar Surface Area | 120.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 450.16516 |
| Heavy Atoms | 33 |
| Complexity | 1161.0538 |
Chemical Identifiers
| CAS Number | 879446-75-0 |
|---|---|
| SMILES | CN1C(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4C2CN(CC4)C5=CC=CC=N5)C(=O)N(C1=O)C |
Product Overview
1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione (CAS 879446-75-0), with molecular formula C22H22N6O5 and molecular weight 450.17 g/mol. IUPAC: 1,3-dimethyl-8'-nitro-3'-pyridin-2-ylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
Property Insights of 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
The XLogP value of 1.2779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione. The TPSA of 120.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione. Following Lipinski's Rule of Five, 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione has 0 hydrogen bond donor(s) and 8 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 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
The CAS number of 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is 879446-75-0.
What is the molecular formula of 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
The molecular formula of 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is C22H22N6O5.
What is the molecular weight of 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
The molecular weight of 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is 450.17 g/mol.
Where can I buy 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
You can request a quote for 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.