![3'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione structure](/static/products/879/879442-85-0.png)
3'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
TL;DR: 3'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione (CAS 879442-85-0) is a chemical compound with molecular formula C29H25FN4O5 and molecular weight 528.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)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'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione, 3-(1,3-benzodioxol-5-ylmethyl)-3'-(4-fluorophenyl)-6'-hydroxy-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione, 3-(benzo[d][1,3]dioxol-5-ylmethyl)-1'-(4-fluorophenyl)-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 | C29H25FN4O5 |
|---|---|
| Molecular Weight | 528.18 g/mol |
| LogP | 3.0707 |
| Topological Polar Surface Area | 91.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 528.1809 |
| Heavy Atoms | 39 |
| Complexity | 1511.7676 |
Chemical Identifiers
| CAS Number | 879442-85-0 |
|---|---|
| SMILES | C1CN2C(CN1CC3=CC4=C(C=C3)OCO4)C5(CC6=CC=CC=C62)C(=O)NC(=O)N(C5=O)C7=CC=C(C=C7)F |
Product Overview
3'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione (CAS 879442-85-0), with molecular formula C29H25FN4O5 and molecular weight 528.18 g/mol. IUPAC: 3'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)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'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Property Insights of 3'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
The XLogP value of 3.0707 indicates that 3'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[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 91.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[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'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[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 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[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'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is 879442-85-0.
What is the molecular formula of 3'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[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'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is C29H25FN4O5.
What is the molecular weight of 3'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[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'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is 528.18 g/mol.
Where can I buy 3'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[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'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[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'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[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'-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)spiro[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.