![1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione structure](/static/products/879/879436-92-7.png)
1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
TL;DR: 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione (CAS 879436-92-7) is a chemical compound with molecular formula C18H22N4O7 and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitrospiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
Also Known As: 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione, 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione, 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitrospiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
| Molecular Formula | C18H22N4O7 |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 0.613 |
| Topological Polar Surface Area | 122.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.14883 |
| Heavy Atoms | 29 |
| Complexity | 858.96063 |
Chemical Identifiers
| CAS Number | 879436-92-7 |
|---|---|
| SMILES | CN1C(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N(C2)CC(OC)OC)C(=O)N(C1=O)C |
Product Overview
1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione (CAS 879436-92-7), with molecular formula C18H22N4O7 and molecular weight 406.15 g/mol. IUPAC: 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitrospiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.
Chemical Property Profile of 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
Property Insights of 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
The XLogP value of 0.613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione. The TPSA of 122.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione. Following Lipinski's Rule of Five, 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione 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 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione?
The CAS number of 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione is 879436-92-7.
What is the molecular formula of 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione?
The molecular formula of 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione is C18H22N4O7.
What is the molecular weight of 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione?
The molecular weight of 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione is 406.15 g/mol.
Where can I buy 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione?
You can request a quote for 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1'-(2,2-dimethoxyethyl)-1,3-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.