![ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate structure](/static/products/879/879474-39-2.png)
ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate
TL;DR: ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate (CAS 879474-39-2) is a chemical compound with molecular formula C21H24N4O7 and molecular weight 444.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxospiro[1,2,3,4,4a,6-hexahydrobenzo[f]quinolizine-5,5'-1,3-diazinane]-3-carboxylate
Also Known As: ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate, ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1,2,2',3,3',4,4a,4',6,6'-decahydro-1'H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate, ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxospiro[1,2,3,4,4a,6-hexahydrobenzo[f]quinolizine-5,5'-1,3-diazinane]-3-carboxylate
| Molecular Formula | C21H24N4O7 |
|---|---|
| Molecular Weight | 444.16 g/mol |
| LogP | 1.3358 |
| Topological Polar Surface Area | 130.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.1645 |
| Heavy Atoms | 32 |
| Complexity | 1014.97455 |
Chemical Identifiers
| CAS Number | 879474-39-2 |
|---|---|
| SMILES | CCOC(=O)C1CCN2C(C1)C3(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)N(C(=O)N(C3=O)C)C |
Product Overview
ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate (CAS 879474-39-2), with molecular formula C21H24N4O7 and molecular weight 444.16 g/mol. IUPAC: ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxospiro[1,2,3,4,4a,6-hexahydrobenzo[f]quinolizine-5,5'-1,3-diazinane]-3-carboxylate.
Chemical Property Profile of ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate
Property Insights of ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate
The XLogP value of 1.3358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate. The TPSA of 130.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate. Following Lipinski's Rule of Five, ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate has 0 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 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?
The CAS number of ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate is 879474-39-2.
What is the molecular formula of ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?
The molecular formula of ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate is C21H24N4O7.
What is the molecular weight of ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?
The molecular weight of ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate is 444.16 g/mol.
Where can I buy ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?
You can request a quote for ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[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',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.