![3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide structure](/static/products/3890/389070-68-2.webp)
3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide
TL;DR: 3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide (CAS 389070-68-2) is a chemical compound with molecular formula C29H26F3N5O2S and molecular weight 565.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide
Also Known As: 3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide, F0507-1950, N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)-3-methylbenzamide, N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide
| Molecular Formula | C29H26F3N5O2S |
|---|---|
| Molecular Weight | 565.18 g/mol |
| LogP | 5.59602 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 565.1759 |
| Heavy Atoms | 40 |
| Complexity | 1552.6691 |
Chemical Identifiers
| CAS Number | 389070-68-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NCC2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC(=O)N4CCCC5=CC=CC=C54 |
Product Overview
3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide (CAS 389070-68-2), with molecular formula C29H26F3N5O2S and molecular weight 565.18 g/mol. IUPAC: N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide.
Chemical Property Profile of 3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide
Property Insights of 3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide
The XLogP value of 5.59602 indicates that 3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide. Following Lipinski's Rule of Five, 3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The CAS number of 3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide is 389070-68-2.
What is the molecular formula of 3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The molecular formula of 3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide is C29H26F3N5O2S.
What is the molecular weight of 3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The molecular weight of 3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide is 565.18 g/mol.
Where can I buy 3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide?
You can request a quote for 3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.