![1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione structure](/static/products/6798/679840-48-3.webp)
1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
TL;DR: 1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione (CAS 679840-48-3) is a chemical compound with molecular formula C19H22N4O6 and molecular weight 402.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2',3,4'-tetramethyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
Also Known As: 1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione, 1',2,3',4-tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione, 1',2,3',4-tetramethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione, 1,2',3,4'-tetramethyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
| Molecular Formula | C19H22N4O6 |
|---|---|
| Molecular Weight | 402.15 g/mol |
| LogP | 1.1699 |
| Topological Polar Surface Area | 113.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 402.15393 |
| Heavy Atoms | 29 |
| Complexity | 922.6271 |
Chemical Identifiers
| CAS Number | 679840-48-3 |
|---|---|
| SMILES | CC1CN2C(C(O1)C)C3(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)N(C(=O)N(C3=O)C)C |
Product Overview
1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione (CAS 679840-48-3), with molecular formula C19H22N4O6 and molecular weight 402.15 g/mol. IUPAC: 1,2',3,4'-tetramethyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione.
Chemical Property Profile of 1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Property Insights of 1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
The XLogP value of 1.1699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione. The TPSA of 113.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione. Following Lipinski's Rule of Five, 1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione has 0 hydrogen bond donor(s) and 7 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 1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione?
The CAS number of 1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione is 679840-48-3.
What is the molecular formula of 1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione?
The molecular formula of 1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione is C19H22N4O6.
What is the molecular weight of 1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione?
The molecular weight of 1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione is 402.15 g/mol.
Where can I buy 1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione?
You can request a quote for 1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1',2,3',4-Tetramethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.