![2-[5-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid structure](/static/products/1587/158773-86-5.webp)
2-[5-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid
TL;DR: 2-[5-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid (CAS 158773-86-5) is a chemical compound with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: BAS 01883922, 2-[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid, 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid, (4-Phenyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, Acetic acid, 2-[[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
| Molecular Formula | C17H15N3O2S |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 3.41942 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.0885 |
| Heavy Atoms | 23 |
| Complexity | 813.6147 |
Chemical Identifiers
| CAS Number | 158773-86-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)O |
Product Overview
2-[5-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid (CAS 158773-86-5), with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol. IUPAC: 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-[5-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid
Property Insights of 2-[5-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid
The XLogP value of 3.41942 indicates that 2-[5-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid. Following Lipinski's Rule of Five, 2-[5-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid has 1 hydrogen bond donor(s) and 4 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-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid?
The CAS number of 2-[5-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid is 158773-86-5.
What is the molecular formula of 2-[5-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid?
The molecular formula of 2-[5-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid is C17H15N3O2S.
What is the molecular weight of 2-[5-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid?
The molecular weight of 2-[5-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid is 325.09 g/mol.
Where can I buy 2-[5-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid?
You can request a quote for 2-[5-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]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-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-Methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.