2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-one
TL;DR: 2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-one (CAS 58596-42-2) is a chemical compound with molecular formula C11H8F3NO and molecular weight 227.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
Also Known As: 4-Hydroxy-2-methyl-7-trifluoromethylquinoline, 2-methyl-7-(trifluoromethyl)quinolin-4-ol, Maybridge3_004297, 2-Methyl-7-trifluoromethyl-quinolin-4-ol, 2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
| Molecular Formula | C11H8F3NO |
|---|---|
| Molecular Weight | 227.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.0558 |
| Heavy Atoms | 16 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 58596-42-2 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(N1)C=C(C=C2)C(F)(F)F |
| InChIKey | IIABTAZQWRTZHG-UHFFFAOYSA-N |
Product Overview
2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-one (CAS 58596-42-2), with molecular formula C11H8F3NO and molecular weight 227.06 g/mol. IUPAC: 2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one.
Chemical Property Profile of 2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-one
Property Insights of 2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-one. With a topological polar surface area (TPSA) of 29.1 Ų, 2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-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 2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-one?
The CAS number of 2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-one is 58596-42-2.
What is the molecular formula of 2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-one?
The molecular formula of 2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-one is C11H8F3NO.
What is the molecular weight of 2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-one?
The molecular weight of 2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-one is 227.06 g/mol.
Where can I buy 2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-one?
You can request a quote for 2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-7-(trifluoromethyl)quinolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.