![(E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one structure](/static/products/850/850191-58-1.png)
(E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
TL;DR: (E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 850191-58-1) is a chemical compound with molecular formula C25H25N3O5S and molecular weight 479.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
| Molecular Formula | C25H25N3O5S |
|---|---|
| Molecular Weight | 479.15 g/mol |
| LogP | 3.7888 |
| Topological Polar Surface Area | 84.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.1515 |
| Heavy Atoms | 34 |
| Complexity | 1413.9379 |
Chemical Identifiers
| CAS Number | 850191-58-1 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2)OCC |
Product Overview
(E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 850191-58-1), with molecular formula C25H25N3O5S and molecular weight 479.15 g/mol. IUPAC: (5E)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of (E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Property Insights of (E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
The XLogP value of 3.7888 indicates that (E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)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 84.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one. Following Lipinski's Rule of Five, (E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one has 0 hydrogen bond donor(s) and 8 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 (E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The CAS number of (E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 850191-58-1.
What is the molecular formula of (E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular formula of (E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is C25H25N3O5S.
What is the molecular weight of (E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular weight of (E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 479.15 g/mol.
Where can I buy (E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
You can request a quote for (E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)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 (E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(4-butoxy-3-ethoxybenzylidene)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)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.