![4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate structure](/static/products/573/573947-37-2.png)
4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate
TL;DR: 4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate (CAS 573947-37-2) is a chemical compound with molecular formula C21H16ClN3O4S and molecular weight 441.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-[2-(3-chlorophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]-2-ethoxyphenyl] acetate
Also Known As: 4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate, (Z)-4-((2-(3-chlorophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)-2-ethoxyphenyl acetate, [4-[(Z)-[2-(3-chlorophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]-2-ethoxyphenyl] acetate, 4-{[(5Z)-2-(3-CHLOROPHENYL)-6-OXO-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-5-YLIDENE]METHYL}-2-ETHOXYPHENYL ACETATE
| Molecular Formula | C21H16ClN3O4S |
|---|---|
| Molecular Weight | 441.06 g/mol |
| LogP | 3.3431 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.055 |
| Heavy Atoms | 30 |
| Complexity | 1362.5844 |
Chemical Identifiers
| CAS Number | 573947-37-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC(=CC=C4)Cl)S2)OC(=O)C |
Product Overview
4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate (CAS 573947-37-2), with molecular formula C21H16ClN3O4S and molecular weight 441.06 g/mol. IUPAC: [4-[(Z)-[2-(3-chlorophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]-2-ethoxyphenyl] acetate.
Chemical Property Profile of 4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate
Property Insights of 4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate
The XLogP value of 3.3431 indicates that 4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate. Following Lipinski's Rule of Five, 4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate has 0 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 4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate?
The CAS number of 4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate is 573947-37-2.
What is the molecular formula of 4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate?
The molecular formula of 4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate is C21H16ClN3O4S.
What is the molecular weight of 4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate?
The molecular weight of 4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate is 441.06 g/mol.
Where can I buy 4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate?
You can request a quote for 4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-{(Z)-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.