![1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione structure](/static/products/879/879466-22-5.png)
1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione
TL;DR: 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione (CAS 879466-22-5) is a chemical compound with molecular formula C25H36N4O5 and molecular weight 472.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
Also Known As: 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione, 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione, 1'-butyl-6-hydroxy-3-(4-methylpentyl)-6'-nitro-2'-propyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
| Molecular Formula | C25H36N4O5 |
|---|---|
| Molecular Weight | 472.27 g/mol |
| LogP | 4.4271 |
| Topological Polar Surface Area | 112.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 472.2686 |
| Heavy Atoms | 34 |
| Complexity | 962.62445 |
Chemical Identifiers
| CAS Number | 879466-22-5 |
|---|---|
| SMILES | CCCCN1C(C2(CC3=C1C=CC(=C3)[N+](=O)[O-])C(=O)NC(=O)N(C2=O)CCCC(C)C)CCC |
Product Overview
1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione (CAS 879466-22-5), with molecular formula C25H36N4O5 and molecular weight 472.27 g/mol. IUPAC: 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.
Chemical Property Profile of 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione
Property Insights of 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione
The XLogP value of 4.4271 indicates that 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione. Following Lipinski's Rule of Five, 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-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
Frequently Asked Questions
What is the CAS number of 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione?
The CAS number of 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione is 879466-22-5.
What is the molecular formula of 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione?
The molecular formula of 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione is C25H36N4O5.
What is the molecular weight of 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione?
The molecular weight of 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione is 472.27 g/mol.
Where can I buy 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione?
You can request a quote for 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(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'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1'-butyl-1-(4-methylpentyl)-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.