![1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione structure](/static/products/1005/1005277-27-9.webp)
1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione
TL;DR: 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione (CAS 1005277-27-9) is a chemical compound with molecular formula C21H26N4O5 and molecular weight 414.1903 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione
Also Known As: 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione, 1'-(tert-butyl)-3-methyl-8-nitro-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione, 1'-tert-butyl-2'-hydroxy-3-methyl-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione, 1'-tert-butyl-3-methyl-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione, 5-TERT-BUTYL-3'-METHYL-8'-NITRO-1',2',3',4',4'A,6'-HEXAHYDROSPIRO[1,5-DIAZINANE-3,5'-PYRIDO[1,2-A]QUINOLINE]-2,4,6-TRIONE
Technical Specifications
| Molecular Formula | C21H26N4O5 |
| Molecular Weight | 414.1903 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 414.1903 Da |
| Heavy Atoms | 30 |
| Complexity | 787.0 |
| SMILES | CC1CCN2C(C1)C3(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)NC(=O)N(C3=O)C(C)(C)C |
| InChIKey | YEPHOXHJHDAUQS-UHFFFAOYSA-N |
Chemical Property Profile of 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione
Property Insights of 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione. Following Lipinski's Rule of Five, 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione?
The CAS number of 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione is 1005277-27-9.
What is the molecular formula of 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione?
The molecular formula of 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione is C21H26N4O5.
What is the molecular weight of 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione?
The molecular weight of 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione is 414.1903 g/mol.
Where can I buy 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione?
You can request a quote for 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione?
Yes, CoreyChem provides custom synthesis services for 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.