2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: 2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 690249-08-2) is a chemical compound with molecular formula C21H16F3N5O2S and molecular weight 459.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(quinolin-8-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-({5-[(quinolin-8-yloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, 2-[[5-(quinolin-8-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, {5-[(8-quinolyloxy)methyl]-4-[m-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylthio}acetamide, 2-{5-(8-quinolyloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-ylthi o}acetamide
| Molecular Formula | C21H16F3N5O2S |
|---|---|
| Molecular Weight | 459.10 g/mol |
| LogP | 3.9907 |
| Topological Polar Surface Area | 95.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.0977 |
| Heavy Atoms | 32 |
| Complexity | 1270.5177 |
Chemical Identifiers
| CAS Number | 690249-08-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)OCC3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)SCC(=O)N)N=CC=C2 |
Product Overview
2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 690249-08-2), with molecular formula C21H16F3N5O2S and molecular weight 459.10 g/mol. IUPAC: 2-[[5-(quinolin-8-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of 2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 3.9907 indicates that 2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide. Following Lipinski's Rule of Five, 2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide has 1 hydrogen bond donor(s) and 6 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-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of 2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 690249-08-2.
What is the molecular formula of 2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of 2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is C21H16F3N5O2S.
What is the molecular weight of 2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of 2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 459.10 g/mol.
Where can I buy 2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for 2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.