2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(1H)-one
TL;DR: 2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(1H)-one (CAS 836646-04-9) is a chemical compound with molecular formula C12H9F4NOS and molecular weight 291.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-(1,1,2,2-tetrafluoroethylsulfanyl)-1H-quinolin-4-one
Also Known As: 2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(1H)-one, 2-methyl-3-(1,1,2,2-tetrafluoroethylsulfanyl)-1H-quinolin-4-one, 2-methyl-3-[(1,1,2,2-tetrafluoroethyl)sulfanyl]quinolin-4(1H)-one
| Molecular Formula | C12H9F4NOS |
|---|---|
| Molecular Weight | 291.03 g/mol |
| LogP | 3.78652 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.0341 |
| Heavy Atoms | 19 |
| Complexity | 668.31726 |
Chemical Identifiers
| CAS Number | 836646-04-9 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2N1)SC(C(F)F)(F)F |
Product Overview
2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(1H)-one (CAS 836646-04-9), with molecular formula C12H9F4NOS and molecular weight 291.03 g/mol. IUPAC: 2-methyl-3-(1,1,2,2-tetrafluoroethylsulfanyl)-1H-quinolin-4-one.
Chemical Property Profile of 2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(1H)-one
Property Insights of 2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(1H)-one
The XLogP value of 3.78652 indicates that 2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.86 Ų, 2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(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 2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(1H)-one?
The CAS number of 2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(1H)-one is 836646-04-9.
What is the molecular formula of 2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(1H)-one?
The molecular formula of 2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(1H)-one is C12H9F4NOS.
What is the molecular weight of 2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(1H)-one?
The molecular weight of 2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(1H)-one is 291.03 g/mol.
Where can I buy 2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(1H)-one?
You can request a quote for 2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)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-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-((1,1,2,2-tetrafluoroethyl)thio)quinolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.