3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one
TL;DR: 3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one (CAS 166402-52-4) is a chemical compound with molecular formula C10H7F3N2O and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one
Also Known As: 3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one, 3-Methyl-7-(trifluoromethyl)quinoxalin-2(1H)-one, 3-Methyl-7-trifluoromethylquinoxaline-2(1H)-one, J1.127.956B, 3-methyl-7-(trifluoromethyl)-1,2-dihydroquinoxalin-2-one
| Molecular Formula | C10H7F3N2O |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.05104 |
| Heavy Atoms | 16 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 166402-52-4 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2)C(F)(F)F)NC1=O |
| InChIKey | QVBCXXWMNSIAGY-UHFFFAOYSA-N |
Product Overview
3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one (CAS 166402-52-4), with molecular formula C10H7F3N2O and molecular weight 228.05 g/mol. IUPAC: 3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one.
Chemical Property Profile of 3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one
Property Insights of 3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one. With a topological polar surface area (TPSA) of 41.5 Ų, 3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one 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 3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one?
The CAS number of 3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one is 166402-52-4.
What is the molecular formula of 3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one?
The molecular formula of 3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one is C10H7F3N2O.
What is the molecular weight of 3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one?
The molecular weight of 3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one is 228.05 g/mol.
Where can I buy 3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one?
You can request a quote for 3-methyl-7-(trifluoromethyl)-1H-quinoxalin-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-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.