![(5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one structure](/static/products/6069/606954-08-9.webp)
(5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
TL;DR: (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 606954-08-9) is a chemical compound with molecular formula C21H14BrN3O3S and molecular weight 466.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(3-methyl-1-benzofuran-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-(5-Bromo-2-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-5-(5-Bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-YL)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one, (5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(3-methyl-1-benzofuran-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, 5-[(5-bromo-2-methoxyphenyl)methylene]-2-(3-methylbenzo[d]furan-2-yl)-1,3-thia zolidino[3,2-d]1,2,4-triazol-6-one
| Molecular Formula | C21H14BrN3O3S |
|---|---|
| Molecular Weight | 466.99 g/mol |
| LogP | 4.19142 |
| Topological Polar Surface Area | 69.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.99393 |
| Heavy Atoms | 29 |
| Complexity | 1499.2158 |
Chemical Identifiers
| CAS Number | 606954-08-9 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C3=NN4C(=O)/C(=C\C5=C(C=CC(=C5)Br)OC)/SC4=N3 |
Product Overview
(5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 606954-08-9), with molecular formula C21H14BrN3O3S and molecular weight 466.99 g/mol. IUPAC: (5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(3-methyl-1-benzofuran-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Property Insights of (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
The XLogP value of 4.19142 indicates that (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one. Following Lipinski's Rule of Five, (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one 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 (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The CAS number of (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 606954-08-9.
What is the molecular formula of (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular formula of (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is C21H14BrN3O3S.
What is the molecular weight of (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular weight of (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 466.99 g/mol.
Where can I buy (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
You can request a quote for (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.