![1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione structure](/static/products/859/859666-55-0.png)
1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
TL;DR: 1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione (CAS 859666-55-0) is a chemical compound with molecular formula C29H28N4O3 and molecular weight 480.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-phenyl-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: 1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione, 1-phenethyl-3'-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione, 2'-hydroxy-3-phenyl-1'-(2-phenylethyl)-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione
| Molecular Formula | C29H28N4O3 |
|---|---|
| Molecular Weight | 480.22 g/mol |
| LogP | 3.2454 |
| Topological Polar Surface Area | 72.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.21616 |
| Heavy Atoms | 36 |
| Complexity | 1312.3641 |
Chemical Identifiers
| CAS Number | 859666-55-0 |
|---|---|
| SMILES | C1CN2C(CN1C3=CC=CC=C3)C4(CC5=CC=CC=C52)C(=O)NC(=O)N(C4=O)CCC6=CC=CC=C6 |
Product Overview
1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione (CAS 859666-55-0), with molecular formula C29H28N4O3 and molecular weight 480.22 g/mol. IUPAC: 3'-phenyl-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 1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
Property Insights of 1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
The XLogP value of 3.2454 indicates that 1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-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 1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione. Following Lipinski's Rule of Five, 1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-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 1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
The CAS number of 1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is 859666-55-0.
What is the molecular formula of 1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
The molecular formula of 1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is C29H28N4O3.
What is the molecular weight of 1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
The molecular weight of 1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is 480.22 g/mol.
Where can I buy 1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
You can request a quote for 1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(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 1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1'-phenethyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.