![[2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate structure](/static/products/500/500272-91-3.png)
[2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate
TL;DR: [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate (CAS 500272-91-3) is a chemical compound with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate
Also Known As: [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate|(E)-4-(((3-mercapto-5-(o-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate|2,6-dimethoxy-4-[(E)-{[3-(2-methylphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenyl acetate|4-(((3-MERCAPTO-5-(2-ME-PH)-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)2,6-DI-MEO-PH ACETATE|4-{(1E)-2-[5-(2-methylphenyl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl}-2,6- dimethoxyphenyl acetate
| Molecular Formula | C20H20N4O4S |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 3.74081 |
| Topological Polar Surface Area | 90.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.1205 |
| Heavy Atoms | 29 |
| Complexity | 1108.5001 |
Chemical Identifiers
| CAS Number | 500272-91-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NNC(=S)N2/N=C/C3=CC(=C(C(=C3)OC)OC(=O)C)OC |
Product Overview
[2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate (CAS 500272-91-3), with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol. IUPAC: [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate.
Chemical Property Profile of [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate
Property Insights of [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate
The XLogP value of 3.74081 indicates that [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.73 Ų falls within the moderate polarity range, balancing permeability and solubility for [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate. Following Lipinski's Rule of Five, [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate has 1 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 [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate?
The CAS number of [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate is 500272-91-3.
What is the molecular formula of [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate?
The molecular formula of [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate is C20H20N4O4S.
What is the molecular weight of [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate?
The molecular weight of [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate is 412.12 g/mol.
Where can I buy [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate?
You can request a quote for [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [2,6-dimethoxy-4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.