![1'-butyl-1-hexyl-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione structure](/static/products/879/879449-36-2.png)
1'-butyl-1-hexyl-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-hexyl-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione (CAS 879449-36-2) 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-hexyl-6'-nitro-2'-propylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
Also Known As: 1'-butyl-1-hexyl-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione, 1'-butyl-1-hexyl-6'-nitro-2'-propyl-spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione, 1'-butyl-1-hexyl-6'-nitro-2'-propylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione, 1'-butyl-3-hexyl-6-hydroxy-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 | 4.5712 |
| Topological Polar Surface Area | 112.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 472.2686 |
| Heavy Atoms | 34 |
| Complexity | 949.23376 |
Chemical Identifiers
| CAS Number | 879449-36-2 |
|---|---|
| SMILES | CCCCCCN1C(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N(C2CCC)CCCC)C(=O)NC1=O |
Product Overview
1'-butyl-1-hexyl-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione (CAS 879449-36-2), with molecular formula C25H36N4O5 and molecular weight 472.27 g/mol. IUPAC: 1'-butyl-1-hexyl-6'-nitro-2'-propylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.
Chemical Property Profile of 1'-butyl-1-hexyl-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-hexyl-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione
The XLogP value of 4.5712 indicates that 1'-butyl-1-hexyl-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-hexyl-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-hexyl-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-hexyl-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-hexyl-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione is 879449-36-2.
What is the molecular formula of 1'-butyl-1-hexyl-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-hexyl-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-hexyl-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-hexyl-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-hexyl-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-hexyl-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-hexyl-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-hexyl-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.