![4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate structure](/static/products/7066/7066-65-1.webp)
4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate
TL;DR: 4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate (CAS 7066-65-1) is a chemical compound with molecular formula C21H14ClN3O3S and molecular weight 423.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[2-[2-(4-chlorophenyl)ethenyl]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate
Also Known As: 4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate, [4-[[2-[2-(4-chlorophenyl)ethenyl]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate, 4-({2-[2-(4-Chlorophenyl)ethen-1-yl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate
| Molecular Formula | C21H14ClN3O3S |
|---|---|
| Molecular Weight | 423.04 g/mol |
| LogP | 3.4478 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.04443 |
| Heavy Atoms | 29 |
| Complexity | 1322.759 |
Chemical Identifiers
| CAS Number | 7066-65-1 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=C(C=C4)Cl)S2 |
Product Overview
4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate (CAS 7066-65-1), with molecular formula C21H14ClN3O3S and molecular weight 423.04 g/mol. IUPAC: [4-[[2-[2-(4-chlorophenyl)ethenyl]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate.
Chemical Property Profile of 4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate
Property Insights of 4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate
The XLogP value of 3.4478 indicates that 4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate. Following Lipinski's Rule of Five, 4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate has 0 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-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate?
The CAS number of 4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate is 7066-65-1.
What is the molecular formula of 4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate?
The molecular formula of 4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate is C21H14ClN3O3S.
What is the molecular weight of 4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate?
The molecular weight of 4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate is 423.04 g/mol.
Where can I buy 4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate?
You can request a quote for 4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-({2-[2-(4-Chlorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.