![ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate structure](/static/products/879/879467-36-4.png)
ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate
TL;DR: ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate (CAS 879467-36-4) is a chemical compound with molecular formula C25H25N5O7 and molecular weight 507.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzyl-8'-nitro-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-3'-carboxylate
Also Known As: ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate, ethyl 1'-benzyl-8-nitro-2',4',6'-trioxo-1,2,2',3',4,4a,4',6'-octahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3(6H)-carboxylate, ethyl 1-benzyl-8'-nitro-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-3'-carboxylate
| Molecular Formula | C25H25N5O7 |
|---|---|
| Molecular Weight | 507.18 g/mol |
| LogP | 2.063 |
| Topological Polar Surface Area | 142.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 507.17538 |
| Heavy Atoms | 37 |
| Complexity | 1299.5907 |
Chemical Identifiers
| CAS Number | 879467-36-4 |
|---|---|
| SMILES | CCOC(=O)N1CCN2C(C1)C3(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)NC(=O)N(C3=O)CC5=CC=CC=C5 |
Product Overview
ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate (CAS 879467-36-4), with molecular formula C25H25N5O7 and molecular weight 507.18 g/mol. IUPAC: ethyl 1-benzyl-8'-nitro-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-3'-carboxylate.
Chemical Property Profile of ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate
Property Insights of ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate
The XLogP value of 2.063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate. The TPSA of 142.4 Ų indicates high polarity, suggesting ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?
The CAS number of ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate is 879467-36-4.
What is the molecular formula of ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?
The molecular formula of ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate is C25H25N5O7.
What is the molecular weight of ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?
The molecular weight of ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate is 507.18 g/mol.
Where can I buy ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?
You can request a quote for ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1'-benzyl-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.