![2-[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid structure](/static/products/862/862129-06-4.png)
2-[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid
TL;DR: 2-[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid (CAS 862129-06-4) is a chemical compound with molecular formula C17H14ClN3O3S and molecular weight 375.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic Acid, 2-((5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, 2-[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid
| Molecular Formula | C17H14ClN3O3S |
|---|---|
| Molecular Weight | 375.04 g/mol |
| LogP | 3.773 |
| Topological Polar Surface Area | 77.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.04443 |
| Heavy Atoms | 25 |
| Complexity | 879.1586 |
Chemical Identifiers
| CAS Number | 862129-06-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)C3=CC=C(C=C3)Cl |
Product Overview
2-[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid (CAS 862129-06-4), with molecular formula C17H14ClN3O3S and molecular weight 375.04 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid
Property Insights of 2-[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid
The XLogP value of 3.773 indicates that 2-[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid. Following Lipinski's Rule of Five, 2-[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid has 1 hydrogen bond donor(s) and 5 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-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid?
The CAS number of 2-[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid is 862129-06-4.
What is the molecular formula of 2-[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid?
The molecular formula of 2-[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid is C17H14ClN3O3S.
What is the molecular weight of 2-[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid?
The molecular weight of 2-[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid is 375.04 g/mol.
Where can I buy 2-[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid?
You can request a quote for 2-[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-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-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.