![[4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate structure](/static/products/498/498538-22-0.png)
[4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate
TL;DR: [4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate (CAS 498538-22-0) is a chemical compound with molecular formula C17H16N4O5S and molecular weight 388.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate
Also Known As: [4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate, (E)-4-(((3-(furan-2-yl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate, 4-(((3-(2-FURYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)2,6-DI-MEO-PH ACETATE, 4-[(E)-{[3-(furan-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]-2,6-dimethoxyphenyl acetate
| Molecular Formula | C17H16N4O5S |
|---|---|
| Molecular Weight | 388.08 g/mol |
| LogP | 3.02539 |
| Topological Polar Surface Area | 103.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.08414 |
| Heavy Atoms | 27 |
| Complexity | 1011.02374 |
Chemical Identifiers
| CAS Number | 498538-22-0 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1OC)/C=N/N2C(=NNC2=S)C3=CC=CO3)OC |
Product Overview
[4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate (CAS 498538-22-0), with molecular formula C17H16N4O5S and molecular weight 388.08 g/mol. IUPAC: [4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate.
Chemical Property Profile of [4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate
Property Insights of [4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate
The XLogP value of 3.02539 indicates that [4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.87 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate. Following Lipinski's Rule of Five, [4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate has 1 hydrogen bond donor(s) and 8 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-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate?
The CAS number of [4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate is 498538-22-0.
What is the molecular formula of [4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate?
The molecular formula of [4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate is C17H16N4O5S.
What is the molecular weight of [4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate?
The molecular weight of [4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate is 388.08 g/mol.
Where can I buy [4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate?
You can request a quote for [4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(E)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.