![3'-(1,3-benzodioxol-5-ylmethyl)-8'-nitro-1-propan-2-ylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione structure](/static/products/879/879463-97-5.png)
3'-(1,3-benzodioxol-5-ylmethyl)-8'-nitro-1-propan-2-ylspiro[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)-8'-nitro-1-propan-2-ylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione (CAS 879463-97-5) is a chemical compound with molecular formula C26H27N5O7 and molecular weight 521.19 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-propan-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: 3'-(1,3-benzodioxol-5-ylmethyl)-8'-nitro-1-propan-2-ylspiro[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)-2'-hydroxy-8-nitro-1'-(propan-2-yl)-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione, 3-(benzo[d][1,3]dioxol-5-ylmethyl)-1'-isopropyl-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 | C26H27N5O7 |
|---|---|
| Molecular Weight | 521.19 g/mol |
| LogP | 2.0436 |
| Topological Polar Surface Area | 134.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 521.19104 |
| Heavy Atoms | 38 |
| Complexity | 1377.7509 |
Chemical Identifiers
| CAS Number | 879463-97-5 |
|---|---|
| SMILES | CC(C)N1C(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4C2CN(CC4)CC5=CC6=C(C=C5)OCO6)C(=O)NC1=O |
Product Overview
3'-(1,3-benzodioxol-5-ylmethyl)-8'-nitro-1-propan-2-ylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione (CAS 879463-97-5), with molecular formula C26H27N5O7 and molecular weight 521.19 g/mol. IUPAC: 3'-(1,3-benzodioxol-5-ylmethyl)-8'-nitro-1-propan-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 3'-(1,3-benzodioxol-5-ylmethyl)-8'-nitro-1-propan-2-ylspiro[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)-8'-nitro-1-propan-2-ylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
The XLogP value of 2.0436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-(1,3-benzodioxol-5-ylmethyl)-8'-nitro-1-propan-2-ylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione. The TPSA of 134.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-(1,3-benzodioxol-5-ylmethyl)-8'-nitro-1-propan-2-ylspiro[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)-8'-nitro-1-propan-2-ylspiro[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 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-(1,3-benzodioxol-5-ylmethyl)-8'-nitro-1-propan-2-ylspiro[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)-8'-nitro-1-propan-2-ylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is 879463-97-5.
What is the molecular formula of 3'-(1,3-benzodioxol-5-ylmethyl)-8'-nitro-1-propan-2-ylspiro[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)-8'-nitro-1-propan-2-ylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is C26H27N5O7.
What is the molecular weight of 3'-(1,3-benzodioxol-5-ylmethyl)-8'-nitro-1-propan-2-ylspiro[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)-8'-nitro-1-propan-2-ylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is 521.19 g/mol.
Where can I buy 3'-(1,3-benzodioxol-5-ylmethyl)-8'-nitro-1-propan-2-ylspiro[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)-8'-nitro-1-propan-2-ylspiro[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)-8'-nitro-1-propan-2-ylspiro[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)-8'-nitro-1-propan-2-ylspiro[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.