![2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid structure](/static/products/7420/742094-76-4.webp)
2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
TL;DR: 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid (CAS 742094-76-4) is a chemical compound with molecular formula C26H20N4O2S and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid, [4-Phenyl-5-(2-p-tolyl-quinolin-4-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid, 2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic Acid, 2-[[4-phenyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid, 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)aceticacid
| Molecular Formula | C26H20N4O2S |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 5.63462 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.1307 |
| Heavy Atoms | 33 |
| Complexity | 1446.9435 |
Chemical Identifiers
| CAS Number | 742094-76-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4C5=CC=CC=C5)SCC(=O)O |
Product Overview
2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid (CAS 742094-76-4), with molecular formula C26H20N4O2S and molecular weight 452.13 g/mol. IUPAC: 2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Property Insights of 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
The XLogP value of 5.63462 indicates that 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid 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 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid?
The CAS number of 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid is 742094-76-4.
What is the molecular formula of 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid?
The molecular formula of 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid is C26H20N4O2S.
What is the molecular weight of 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid?
The molecular weight of 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid is 452.13 g/mol.
Where can I buy 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid?
You can request a quote for 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.