![2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one structure](/static/products/879/879461-33-3.png)
2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
TL;DR: 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one (CAS 879461-33-3) is a chemical compound with molecular formula C22H21N5O6 and molecular weight 451.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-(4-methoxyphenyl)-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Also Known As: 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one, 3'-(4-methoxyphenyl)-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione, 3-(4-methoxyphenyl)-8-nitro-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
| Molecular Formula | C22H21N5O6 |
|---|---|
| Molecular Weight | 451.15 g/mol |
| LogP | 1.2071 |
| Topological Polar Surface Area | 134.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.14917 |
| Heavy Atoms | 33 |
| Complexity | 1160.299 |
Chemical Identifiers
| CAS Number | 879461-33-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CCN3C(C2)C4(CC5=C3C=CC(=C5)[N+](=O)[O-])C(=O)NC(=O)NC4=O |
Product Overview
2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one (CAS 879461-33-3), with molecular formula C22H21N5O6 and molecular weight 451.15 g/mol. IUPAC: 3'-(4-methoxyphenyl)-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Property Insights of 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
The XLogP value of 1.2071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one. The TPSA of 134.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one. Following Lipinski's Rule of Five, 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one has 2 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 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one?
The CAS number of 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one is 879461-33-3.
What is the molecular formula of 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one?
The molecular formula of 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one is C22H21N5O6.
What is the molecular weight of 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one?
The molecular weight of 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one is 451.15 g/mol.
Where can I buy 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one?
You can request a quote for 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one?
Yes, KEHONG BIO provides custom synthesis services for 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.