![3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate structure](/static/products/5779/577982-90-2.webp)
3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
TL;DR: 3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate (CAS 577982-90-2) is a chemical compound with molecular formula C22H19N3O6S and molecular weight 453.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate
Also Known As: 3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate, (Z)-3-((6-oxo-2-(3,4,5-trimethoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate, [3-[(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate, 3-{[(5Z)-6-OXO-2-(3,4,5-TRIMETHOXYPHENYL)-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-5-YLIDENE]METHYL}PHENYL ACETATE
| Molecular Formula | C22H19N3O6S |
|---|---|
| Molecular Weight | 453.10 g/mol |
| LogP | 2.3168 |
| Topological Polar Surface Area | 101.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.09946 |
| Heavy Atoms | 32 |
| Complexity | 1400.4532 |
Chemical Identifiers
| CAS Number | 577982-90-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC(=C(C(=C4)OC)OC)OC)S2 |
Product Overview
3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate (CAS 577982-90-2), with molecular formula C22H19N3O6S and molecular weight 453.10 g/mol. IUPAC: [3-[(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate.
Chemical Property Profile of 3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Property Insights of 3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
The XLogP value of 2.3168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate. The TPSA of 101.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate. Following Lipinski's Rule of Five, 3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate has 0 hydrogen bond donor(s) and 9 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 3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate?
The CAS number of 3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate is 577982-90-2.
What is the molecular formula of 3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate?
The molecular formula of 3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate is C22H19N3O6S.
What is the molecular weight of 3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate?
The molecular weight of 3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate is 453.10 g/mol.
Where can I buy 3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate?
You can request a quote for 3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[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 3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-{(Z)-[6-oxo-2-(3,4,5-trimethoxyphenyl)[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.