![1'-butyl-2,4-dimethyl-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 structure](/static/products/102/1024323-83-8.png)
1'-butyl-2,4-dimethyl-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
TL;DR: 1'-butyl-2,4-dimethyl-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 (CAS 1024323-83-8) is a chemical compound with molecular formula C21H26N4O6 and molecular weight 430.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-2',4'-dimethyl-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'-butyl-2,4-dimethyl-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-butyl-2',4'-dimethyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione, 3'-butyl-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
| Molecular Formula | C21H26N4O6 |
|---|---|
| Molecular Weight | 430.19 g/mol |
| LogP | 1.998 |
| Topological Polar Surface Area | 122.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.18524 |
| Heavy Atoms | 31 |
| Complexity | 965.1884 |
Chemical Identifiers
| CAS Number | 1024323-83-8 |
|---|---|
| SMILES | CCCCN1C(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4C2C(OC(C4)C)C)C(=O)NC1=O |
Product Overview
1'-butyl-2,4-dimethyl-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 (CAS 1024323-83-8), with molecular formula C21H26N4O6 and molecular weight 430.19 g/mol. IUPAC: 1-butyl-2',4'-dimethyl-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'-butyl-2,4-dimethyl-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
Property Insights of 1'-butyl-2,4-dimethyl-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
The XLogP value of 1.998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1'-butyl-2,4-dimethyl-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. The TPSA of 122.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-butyl-2,4-dimethyl-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. Following Lipinski's Rule of Five, 1'-butyl-2,4-dimethyl-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 has 1 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'-butyl-2,4-dimethyl-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?
The CAS number of 1'-butyl-2,4-dimethyl-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 is 1024323-83-8.
What is the molecular formula of 1'-butyl-2,4-dimethyl-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?
The molecular formula of 1'-butyl-2,4-dimethyl-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 is C21H26N4O6.
What is the molecular weight of 1'-butyl-2,4-dimethyl-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?
The molecular weight of 1'-butyl-2,4-dimethyl-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 is 430.19 g/mol.
Where can I buy 1'-butyl-2,4-dimethyl-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?
You can request a quote for 1'-butyl-2,4-dimethyl-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 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-butyl-2,4-dimethyl-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?
Yes, KEHONG BIO provides custom synthesis services for 1'-butyl-2,4-dimethyl-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 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.