![3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione structure](/static/products/879/879445-56-4.png)
3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
TL;DR: 3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione (CAS 879445-56-4) is a chemical compound with molecular formula C29H27FN4O3 and molecular weight 498.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-(2-fluorophenyl)-1-(2-phenylethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Also Known As: 3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione, 3-(2-fluorophenyl)-1'-phenethyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione, 3-(2-fluorophenyl)-6'-hydroxy-3'-(2-phenylethyl)-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
| Molecular Formula | C29H27FN4O3 |
|---|---|
| Molecular Weight | 498.21 g/mol |
| LogP | 3.3845 |
| Topological Polar Surface Area | 72.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.20673 |
| Heavy Atoms | 37 |
| Complexity | 1380.3295 |
Chemical Identifiers
| CAS Number | 879445-56-4 |
|---|---|
| SMILES | C1CN2C(CN1C3=CC=CC=C3F)C4(CC5=CC=CC=C52)C(=O)NC(=O)N(C4=O)CCC6=CC=CC=C6 |
Product Overview
3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione (CAS 879445-56-4), with molecular formula C29H27FN4O3 and molecular weight 498.21 g/mol. IUPAC: 3'-(2-fluorophenyl)-1-(2-phenylethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of 3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Property Insights of 3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
The XLogP value of 3.3845 indicates that 3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione. Following Lipinski's Rule of Five, 3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione has 1 hydrogen bond donor(s) and 5 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 3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The CAS number of 3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is 879445-56-4.
What is the molecular formula of 3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The molecular formula of 3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is C29H27FN4O3.
What is the molecular weight of 3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The molecular weight of 3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is 498.21 g/mol.
Where can I buy 3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
You can request a quote for 3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 3'-(2-fluorophenyl)-1-phenethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.