3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one
TL;DR: 3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one (CAS 231607-76-4) is a chemical compound with molecular formula C10H4F6N2O and molecular weight 282.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-bis(trifluoromethyl)-1H-quinoxalin-2-one
Also Known As: 3,6-bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one, 3,6-bis(trifluoromethyl)-1H-quinoxalin-2-one, 3,6-Bis(trifluoromethyl)quinoxalin-2(1H)-one, NCI60_036496, J1.128.004H
| Molecular Formula | C10H4F6N2O |
|---|---|
| Molecular Weight | 282.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.0228 |
| Heavy Atoms | 19 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 231607-76-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(F)(F)F)N=C(C(=O)N2)C(F)(F)F |
| InChIKey | PAZIEKBLRBWBRP-UHFFFAOYSA-N |
Product Overview
3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one (CAS 231607-76-4), with molecular formula C10H4F6N2O and molecular weight 282.02 g/mol. IUPAC: 3,6-bis(trifluoromethyl)-1H-quinoxalin-2-one.
Chemical Property Profile of 3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one
Property Insights of 3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one. With a topological polar surface area (TPSA) of 41.5 Ų, 3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one has 1 hydrogen bond donor(s) and 8 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 3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one?
The CAS number of 3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one is 231607-76-4.
What is the molecular formula of 3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one?
The molecular formula of 3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one is C10H4F6N2O.
What is the molecular weight of 3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one?
The molecular weight of 3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one is 282.02 g/mol.
Where can I buy 3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one?
You can request a quote for 3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.