![2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate structure](/static/products/6188/618853-73-9.webp)
2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate
TL;DR: 2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate (CAS 618853-73-9) is a chemical compound with molecular formula C20H13BrFN3O4S and molecular weight 488.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-bromo-4-[(Z)-[2-(4-fluorophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]-6-methoxyphenyl] acetate
Also Known As: 2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate, (Z)-2-bromo-4-((2-(4-fluorophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)-6-methoxyphenyl acetate, [2-bromo-4-[(Z)-[2-(4-fluorophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]-6-methoxyphenyl] acetate, 2-BROMO-4-{[(5Z)-2-(4-FLUOROPHENYL)-6-OXO-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-5-YLIDENE]METHYL}-6-METHOXYPHENYL ACETATE
| Molecular Formula | C20H13BrFN3O4S |
|---|---|
| Molecular Weight | 488.98 g/mol |
| LogP | 3.2012 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.97943 |
| Heavy Atoms | 30 |
| Complexity | 1382.055 |
Chemical Identifiers
| CAS Number | 618853-73-9 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1Br)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)F)S2)OC |
Product Overview
2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate (CAS 618853-73-9), with molecular formula C20H13BrFN3O4S and molecular weight 488.98 g/mol. IUPAC: [2-bromo-4-[(Z)-[2-(4-fluorophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]-6-methoxyphenyl] acetate.
Chemical Property Profile of 2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate
Property Insights of 2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate
The XLogP value of 3.2012 indicates that 2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl 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 2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate. Following Lipinski's Rule of Five, 2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl 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 2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate?
The CAS number of 2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate is 618853-73-9.
What is the molecular formula of 2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate?
The molecular formula of 2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate is C20H13BrFN3O4S.
What is the molecular weight of 2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate?
The molecular weight of 2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate is 488.98 g/mol.
Where can I buy 2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate?
You can request a quote for 2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-4-{(Z)-[2-(4-fluorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.