4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one
TL;DR: 4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one (CAS 704875-69-4) is a chemical compound with molecular formula C16H11F3N2O2 and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(trifluoromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
Also Known As: 4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one, 4-[3-(trifluoromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one, F2487-0221, 4-[3-(trifluoromethyl)benzoyl]-1,2,3,4-tetrahydroquinoxalin-2-one, A3687/0156421
| Molecular Formula | C16H11F3N2O2 |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 3.3043 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.07727 |
| Heavy Atoms | 23 |
| Complexity | 786.88995 |
Chemical Identifiers
| CAS Number | 704875-69-4 |
|---|---|
| SMILES | C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one (CAS 704875-69-4), with molecular formula C16H11F3N2O2 and molecular weight 320.08 g/mol. IUPAC: 4-[3-(trifluoromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one.
Chemical Property Profile of 4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one
Property Insights of 4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one
The XLogP value of 3.3043 indicates that 4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, 4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one has 1 hydrogen bond donor(s) and 2 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 4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one?
The CAS number of 4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one is 704875-69-4.
What is the molecular formula of 4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one?
The molecular formula of 4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one is C16H11F3N2O2.
What is the molecular weight of 4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one?
The molecular weight of 4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one is 320.08 g/mol.
Where can I buy 4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one?
You can request a quote for 4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-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 4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.