![3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione structure](/static/products/879/879462-23-4.png)
3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
TL;DR: 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione (CAS 879462-23-4) is a chemical compound with molecular formula C26H28N4O6 and molecular weight 492.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Also Known As: 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione, 3-(1,3-benzodioxol-5-ylmethyl)-6'-hydroxy-3'-(2-methoxyethyl)-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione, 3-(benzo[d][1,3]dioxol-5-ylmethyl)-1'-(2-methoxyethyl)-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 | C26H28N4O6 |
|---|---|
| Molecular Weight | 492.20 g/mol |
| LogP | 1.3734 |
| Topological Polar Surface Area | 100.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.2009 |
| Heavy Atoms | 36 |
| Complexity | 1234.6652 |
Chemical Identifiers
| CAS Number | 879462-23-4 |
|---|---|
| SMILES | COCCN1C(=O)C2(CC3=CC=CC=C3N4C2CN(CC4)CC5=CC6=C(C=C5)OCO6)C(=O)NC1=O |
Product Overview
3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione (CAS 879462-23-4), with molecular formula C26H28N4O6 and molecular weight 492.20 g/mol. IUPAC: 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Property Insights of 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
The XLogP value of 1.3734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione. The TPSA of 100.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione. Following Lipinski's Rule of Five, 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione has 1 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 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The CAS number of 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is 879462-23-4.
What is the molecular formula of 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The molecular formula of 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is C26H28N4O6.
What is the molecular weight of 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The molecular weight of 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is 492.20 g/mol.
Where can I buy 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
You can request a quote for 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 3'-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.