![1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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 structure](/static/products/879/879467-98-8.png)
1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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
TL;DR: 1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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 (CAS 879467-98-8) is a chemical compound with molecular formula C26H25N5O7 and molecular weight 519.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-(1,3-benzodioxol-5-ylmethyl)-8'-nitro-1-prop-2-enylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Also Known As: 1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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, 3'-(1,3-benzodioxol-5-ylmethyl)-8'-nitro-1-prop-2-enylspiro[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-8-nitro-3'-(prop-2-en-1-yl)-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
| Molecular Formula | C26H25N5O7 |
|---|---|
| Molecular Weight | 519.18 g/mol |
| LogP | 1.8212 |
| Topological Polar Surface Area | 134.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.1754 |
| Heavy Atoms | 38 |
| Complexity | 1394.0371 |
Chemical Identifiers
| CAS Number | 879467-98-8 |
|---|---|
| SMILES | C=CCN1C(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4C2CN(CC4)CC5=CC6=C(C=C5)OCO6)C(=O)NC1=O |
Product Overview
1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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 (CAS 879467-98-8), with molecular formula C26H25N5O7 and molecular weight 519.18 g/mol. IUPAC: 3'-(1,3-benzodioxol-5-ylmethyl)-8'-nitro-1-prop-2-enylspiro[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'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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
Property Insights of 1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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
The XLogP value of 1.8212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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. The TPSA of 134.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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. Following Lipinski's Rule of Five, 1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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?
The CAS number of 1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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 is 879467-98-8.
What is the molecular formula of 1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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?
The molecular formula of 1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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 is C26H25N5O7.
What is the molecular weight of 1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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?
The molecular weight of 1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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 is 519.18 g/mol.
Where can I buy 1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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?
You can request a quote for 1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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?
Yes, KEHONG BIO provides custom synthesis services for 1'-allyl-3-(benzo[d][1,3]dioxol-5-ylmethyl)-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 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.