![3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione structure](/static/products/879/879439-33-5.png)
3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione
TL;DR: 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione (CAS 879439-33-5) is a chemical compound with molecular formula C25H25N3O8 and molecular weight 495.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitrospiro[1,3-dioxane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-4,6-dione
Also Known As: 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione, 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitrospiro[1,3-dioxane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-4,6-dione, 3'-(benzo[d][1,3]dioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-1',2',3',4',4a',6'-hexahydrospiro[[1,3]dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione
| Molecular Formula | C25H25N3O8 |
|---|---|
| Molecular Weight | 495.16 g/mol |
| LogP | 2.3929 |
| Topological Polar Surface Area | 120.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 495.16415 |
| Heavy Atoms | 36 |
| Complexity | 1272.0605 |
Chemical Identifiers
| CAS Number | 879439-33-5 |
|---|---|
| SMILES | CC1(OC(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4C2CN(CC4)CC5=CC6=C(C=C5)OCO6)C(=O)O1)C |
Product Overview
3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione (CAS 879439-33-5), with molecular formula C25H25N3O8 and molecular weight 495.16 g/mol. IUPAC: 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitrospiro[1,3-dioxane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-4,6-dione.
Chemical Property Profile of 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione
Property Insights of 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione
The XLogP value of 2.3929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione. The TPSA of 120.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione. Following Lipinski's Rule of Five, 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione has 0 hydrogen bond donor(s) and 10 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)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione?
The CAS number of 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione is 879439-33-5.
What is the molecular formula of 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione?
The molecular formula of 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione is C25H25N3O8.
What is the molecular weight of 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione?
The molecular weight of 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione is 495.16 g/mol.
Where can I buy 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione?
You can request a quote for 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione 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)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethyl-8'-nitro-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.