1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one
TL;DR: 1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one (CAS 883460-68-2) is a chemical compound with molecular formula C20H22F3N3O2 and molecular weight 393.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-oxo-3-piperidin-1-ylpropyl)-1-prop-2-enyl-6-(trifluoromethyl)quinoxalin-2-one
Also Known As: 1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one, 3-(3-oxo-3-piperidin-1-ylpropyl)-1-prop-2-enyl-6-(trifluoromethyl)quinoxalin-2-one, 3-[3-oxo-3-(piperidin-1-yl)propyl]-1-(prop-2-en-1-yl)-6-(trifluoromethyl)quinoxalin-2(1H)-one
| Molecular Formula | C20H22F3N3O2 |
|---|---|
| Molecular Weight | 393.17 g/mol |
| LogP | 3.5464 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.1664 |
| Heavy Atoms | 28 |
| Complexity | 944.08704 |
Chemical Identifiers
| CAS Number | 883460-68-2 |
|---|---|
| SMILES | C=CCN1C2=C(C=C(C=C2)C(F)(F)F)N=C(C1=O)CCC(=O)N3CCCCC3 |
Product Overview
1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one (CAS 883460-68-2), with molecular formula C20H22F3N3O2 and molecular weight 393.17 g/mol. IUPAC: 3-(3-oxo-3-piperidin-1-ylpropyl)-1-prop-2-enyl-6-(trifluoromethyl)quinoxalin-2-one.
Chemical Property Profile of 1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one
Property Insights of 1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one
The XLogP value of 3.5464 indicates that 1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one has 0 hydrogen bond donor(s) and 3 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-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one?
The CAS number of 1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one is 883460-68-2.
What is the molecular formula of 1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one?
The molecular formula of 1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one is C20H22F3N3O2.
What is the molecular weight of 1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one?
The molecular weight of 1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one is 393.17 g/mol.
Where can I buy 1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one?
You can request a quote for 1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-3-(3-oxo-3-(piperidin-1-yl)propyl)-6-(trifluoromethyl)quinoxalin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.