![(2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid structure](/static/products/489/489443-75-6.png)
(2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid
TL;DR: (2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid (CAS 489443-75-6) is a chemical compound with molecular formula C22H23N5O4S and molecular weight 453.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(E)-[[2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Also Known As: (2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid, (E)-2-(2-((2-(2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid, 2-[2-[(E)-[[2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
| Molecular Formula | C22H23N5O4S |
|---|---|
| Molecular Weight | 453.15 g/mol |
| LogP | 2.97922 |
| Topological Polar Surface Area | 118.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 453.14706 |
| Heavy Atoms | 32 |
| Complexity | 1111.7639 |
Chemical Identifiers
| CAS Number | 489443-75-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CC=C2OCC(=O)O)C3=CC=C(C=C3)C |
Product Overview
(2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid (CAS 489443-75-6), with molecular formula C22H23N5O4S and molecular weight 453.15 g/mol. IUPAC: 2-[2-[(E)-[[2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of (2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid
Property Insights of (2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid
The XLogP value of 2.97922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid. The TPSA of 118.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid. Following Lipinski's Rule of Five, (2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid has 2 hydrogen bond donor(s) and 7 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-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid?
The CAS number of (2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid is 489443-75-6.
What is the molecular formula of (2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid?
The molecular formula of (2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid is C22H23N5O4S.
What is the molecular weight of (2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid?
The molecular weight of (2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid is 453.15 g/mol.
Where can I buy (2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid?
You can request a quote for (2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-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-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-{[2-(4-Ethyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.