![2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione structure](/static/products/879/879438-50-3.png)
2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione
TL;DR: 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione (CAS 879438-50-3) is a chemical compound with molecular formula C23H21F3N4O3 and molecular weight 458.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-methyl-1-[3-(trifluoromethyl)phenyl]spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Also Known As: 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione, 3'-methyl-1-[3-(trifluoromethyl)phenyl]spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione, 3-methyl-1'-(3-(trifluoromethyl)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
| Molecular Formula | C23H21F3N4O3 |
|---|---|
| Molecular Weight | 458.16 g/mol |
| LogP | 2.6513 |
| Topological Polar Surface Area | 72.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 458.1566 |
| Heavy Atoms | 33 |
| Complexity | 1167.6357 |
Chemical Identifiers
| CAS Number | 879438-50-3 |
|---|---|
| SMILES | CN1CCN2C(C1)C3(CC4=CC=CC=C42)C(=O)NC(=O)N(C3=O)C5=CC=CC(=C5)C(F)(F)F |
Product Overview
2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione (CAS 879438-50-3), with molecular formula C23H21F3N4O3 and molecular weight 458.16 g/mol. IUPAC: 3'-methyl-1-[3-(trifluoromethyl)phenyl]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 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione
Property Insights of 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione
The XLogP value of 2.6513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione. The TPSA of 72.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione. Following Lipinski's Rule of Five, 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione 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 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione?
The CAS number of 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione is 879438-50-3.
What is the molecular formula of 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione?
The molecular formula of 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione is C23H21F3N4O3.
What is the molecular weight of 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione?
The molecular weight of 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione is 458.16 g/mol.
Where can I buy 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione?
You can request a quote for 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.