![ethyl 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate structure](/static/products/896/896673-76-0.png)
ethyl 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate
TL;DR: ethyl 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate (CAS 896673-76-0) is a chemical compound with molecular formula C18H19N5O7 and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 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 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate, ethyl 8'-nitro-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-3'-carboxylate, ethyl 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
| Molecular Formula | C18H19N5O7 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 0.1504 |
| Topological Polar Surface Area | 151.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.12845 |
| Heavy Atoms | 30 |
| Complexity | 957.672 |
Chemical Identifiers
| CAS Number | 896673-76-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN2C(C1)C3(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)NC(=O)NC3=O |
Product Overview
ethyl 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate (CAS 896673-76-0), with molecular formula C18H19N5O7 and molecular weight 417.13 g/mol. IUPAC: ethyl 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 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate
Property Insights of ethyl 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate
The XLogP value of 0.1504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate. The TPSA of 151.19 Ų indicates high polarity, suggesting ethyl 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,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 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate has 2 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 ethyl 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?
The CAS number of ethyl 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate is 896673-76-0.
What is the molecular formula of ethyl 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?
The molecular formula of ethyl 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate is C18H19N5O7.
What is the molecular weight of ethyl 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?
The molecular weight of ethyl 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate is 417.13 g/mol.
Where can I buy ethyl 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?
You can request a quote for ethyl 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,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 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2',6'-dihydroxy-8-nitro-4'-oxo-1,2,4,4a-tetrahydro-3H,4'H,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.