![[2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate structure](/static/products/500/500272-39-9.png)
[2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate
TL;DR: [2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate (CAS 500272-39-9) is a chemical compound with molecular formula C18H17N5O4S and molecular weight 399.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate
Also Known As: [2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate, (E)-4-(((3-mercapto-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate, 2,6-DIMETHOXY-4-((E)-{[3-(4-PYRIDINYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL]IMINO}METHYL)PHENYL ACETATE, 2,6-dimethoxy-4-[(E)-{[3-(pyridin-4-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenyl acetate, 4-[(1E)-2-(5-(4-pyridyl)-3-sulfanyl(1,2,4-triazol-4-yl))-2-azavinyl]-2,6-dimet hoxyphenyl acetate
| Molecular Formula | C18H17N5O4S |
|---|---|
| Molecular Weight | 399.10 g/mol |
| LogP | 2.82739 |
| Topological Polar Surface Area | 103.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.10013 |
| Heavy Atoms | 28 |
| Complexity | 1050.0752 |
Chemical Identifiers
| CAS Number | 500272-39-9 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1OC)/C=N/N2C(=NNC2=S)C3=CC=NC=C3)OC |
Product Overview
[2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate (CAS 500272-39-9), with molecular formula C18H17N5O4S and molecular weight 399.10 g/mol. IUPAC: [2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate.
Chemical Property Profile of [2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate
Property Insights of [2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate
The XLogP value of 2.82739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate. The TPSA of 103.62 Ų falls within the moderate polarity range, balancing permeability and solubility for [2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate. Following Lipinski's Rule of Five, [2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] 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 [2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate?
The CAS number of [2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate is 500272-39-9.
What is the molecular formula of [2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate?
The molecular formula of [2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate is C18H17N5O4S.
What is the molecular weight of [2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate?
The molecular weight of [2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate is 399.10 g/mol.
Where can I buy [2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate?
You can request a quote for [2,6-dimethoxy-4-[(E)-(3-pyridin-4-yl-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-pyridin-4-yl-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-pyridin-4-yl-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.