![4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid structure](/static/products/741/741272-24-2.png)
4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid
TL;DR: 4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid (CAS 741272-24-2) is a chemical compound with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid
Also Known As: 4-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid, 4-(((4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid, 4-{[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid
| Molecular Formula | C18H18N4O3S |
|---|---|
| Molecular Weight | 370.11 g/mol |
| LogP | 3.0481 |
| Topological Polar Surface Area | 103.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.10995 |
| Heavy Atoms | 26 |
| Complexity | 891.8046 |
Chemical Identifiers
| CAS Number | 741272-24-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)O |
Product Overview
4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid (CAS 741272-24-2), with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol. IUPAC: 4-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid.
Chemical Property Profile of 4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid
Property Insights of 4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid
The XLogP value of 3.0481 indicates that 4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid has 2 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 4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid?
The CAS number of 4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid is 741272-24-2.
What is the molecular formula of 4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid?
The molecular formula of 4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid is C18H18N4O3S.
What is the molecular weight of 4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid?
The molecular weight of 4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid is 370.11 g/mol.
Where can I buy 4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid?
You can request a quote for 4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.