![({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid structure](/static/products/6902/690248-96-5.webp)
({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid
TL;DR: ({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid (CAS 690248-96-5) is a chemical compound with molecular formula C21H15F3N4O3S and molecular weight 460.08 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]acetic acid
Also Known As: ({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid, 2-({5-[(quinolin-8-yloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid, 2-[[5-(quinolin-8-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid, 2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, ({5-[(quinolin-8-yloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
| Molecular Formula | C21H15F3N4O3S |
|---|---|
| Molecular Weight | 460.08 g/mol |
| LogP | 4.59 |
| Topological Polar Surface Area | 90.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.0817 |
| Heavy Atoms | 32 |
| Complexity | 1271.3724 |
Chemical Identifiers
| CAS Number | 690248-96-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)OCC3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)SCC(=O)O)N=CC=C2 |
Product Overview
({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid (CAS 690248-96-5), with molecular formula C21H15F3N4O3S and molecular weight 460.08 g/mol. IUPAC: 2-[[5-(quinolin-8-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of ({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid
Property Insights of ({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid
The XLogP value of 4.59 indicates that ({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid. Following Lipinski's Rule of Five, ({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid 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 ({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid?
The CAS number of ({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid is 690248-96-5.
What is the molecular formula of ({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid?
The molecular formula of ({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid is C21H15F3N4O3S.
What is the molecular weight of ({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid?
The molecular weight of ({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid is 460.08 g/mol.
Where can I buy ({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid?
You can request a quote for ({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ({5-[(8-quinolinyloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.