![3-[(E)-(2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate structure](/static/products/606/606949-86-4.png)
3-[(E)-(2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate
TL;DR: 3-[(E)-(2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate (CAS 606949-86-4) is a chemical compound with molecular formula C19H12BrN3O3S and molecular weight 440.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(E)-[2-(4-bromophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate
Also Known As: 3-[(E)-(2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate, [3-[(E)-[2-(4-bromophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate, 3-((E)-(2-(4-Bromophenyl)-6-oxo(1,3)thiazolo(3,2-B)(1,2,4)triazol-5(6H)-ylidene)methyl)phenyl acetate, 3-{(E)-[2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate, 645-446-2
| Molecular Formula | C19H12BrN3O3S |
|---|---|
| Molecular Weight | 440.98 g/mol |
| LogP | 3.0535 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.97827 |
| Heavy Atoms | 27 |
| Complexity | 1261.8348 |
Chemical Identifiers
| CAS Number | 606949-86-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2 |
Product Overview
3-[(E)-(2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate (CAS 606949-86-4), with molecular formula C19H12BrN3O3S and molecular weight 440.98 g/mol. IUPAC: [3-[(E)-[2-(4-bromophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate.
Chemical Property Profile of 3-[(E)-(2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate
Property Insights of 3-[(E)-(2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate
The XLogP value of 3.0535 indicates that 3-[(E)-(2-(4-bromophenyl)-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 3-[(E)-(2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate. Following Lipinski's Rule of Five, 3-[(E)-(2-(4-bromophenyl)-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 3-[(E)-(2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate?
The CAS number of 3-[(E)-(2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate is 606949-86-4.
What is the molecular formula of 3-[(E)-(2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate?
The molecular formula of 3-[(E)-(2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate is C19H12BrN3O3S.
What is the molecular weight of 3-[(E)-(2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate?
The molecular weight of 3-[(E)-(2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate is 440.98 g/mol.
Where can I buy 3-[(E)-(2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate?
You can request a quote for 3-[(E)-(2-(4-bromophenyl)-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 3-[(E)-(2-(4-bromophenyl)-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 3-[(E)-(2-(4-bromophenyl)-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.