![3-methyl-1',3'-bis(4-methylphenyl)-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 structure](/static/products/879/879457-25-7.png)
3-methyl-1',3'-bis(4-methylphenyl)-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
TL;DR: 3-methyl-1',3'-bis(4-methylphenyl)-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 (CAS 879457-25-7) is a chemical compound with molecular formula C31H30N4O5 and molecular weight 538.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1',3'-bis(4-methylphenyl)-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione
Also Known As: 3-methyl-1',3'-bis(4-methylphenyl)-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, 3-methyl-1',3'-bis(4-methylphenyl)-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione, 3-methyl-8-nitro-1',3'-di-p-tolyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
| Molecular Formula | C31H30N4O5 |
|---|---|
| Molecular Weight | 538.22 g/mol |
| LogP | 5.55904 |
| Topological Polar Surface Area | 104.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 538.2216 |
| Heavy Atoms | 40 |
| Complexity | 1481.3954 |
Chemical Identifiers
| CAS Number | 879457-25-7 |
|---|---|
| SMILES | CC1CCN2C(C1)C3(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)N(C(=O)N(C3=O)C5=CC=C(C=C5)C)C6=CC=C(C=C6)C |
Product Overview
3-methyl-1',3'-bis(4-methylphenyl)-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 (CAS 879457-25-7), with molecular formula C31H30N4O5 and molecular weight 538.22 g/mol. IUPAC: 3-methyl-1',3'-bis(4-methylphenyl)-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione.
Chemical Property Profile of 3-methyl-1',3'-bis(4-methylphenyl)-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
Property Insights of 3-methyl-1',3'-bis(4-methylphenyl)-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
The XLogP value of 5.55904 indicates that 3-methyl-1',3'-bis(4-methylphenyl)-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 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-1',3'-bis(4-methylphenyl)-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. Following Lipinski's Rule of Five, 3-methyl-1',3'-bis(4-methylphenyl)-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 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-methyl-1',3'-bis(4-methylphenyl)-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?
The CAS number of 3-methyl-1',3'-bis(4-methylphenyl)-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 is 879457-25-7.
What is the molecular formula of 3-methyl-1',3'-bis(4-methylphenyl)-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?
The molecular formula of 3-methyl-1',3'-bis(4-methylphenyl)-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 is C31H30N4O5.
What is the molecular weight of 3-methyl-1',3'-bis(4-methylphenyl)-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?
The molecular weight of 3-methyl-1',3'-bis(4-methylphenyl)-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 is 538.22 g/mol.
Where can I buy 3-methyl-1',3'-bis(4-methylphenyl)-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?
You can request a quote for 3-methyl-1',3'-bis(4-methylphenyl)-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 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-1',3'-bis(4-methylphenyl)-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?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1',3'-bis(4-methylphenyl)-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 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.