![(5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one structure](/static/products/6162/616210-40-3.webp)
(5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
TL;DR: (5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 616210-40-3) is a chemical compound with molecular formula C21H18ClN3O2S and molecular weight 411.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2-butoxyphenyl)methylidene]-2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-5-[(2-butoxyphenyl)methylidene]-2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (5E)-5-[(2-BUTOXYPHENYL)METHYLIDENE]-2-(4-CHLOROPHENYL)-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-6-ONE, 5-[(2-butoxyphenyl)methylidene]-2-(4-chlorophenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
| Molecular Formula | C21H18ClN3O2S |
|---|---|
| Molecular Weight | 411.08 g/mol |
| LogP | 4.198 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.0808 |
| Heavy Atoms | 28 |
| Complexity | 1214.9086 |
Chemical Identifiers
| CAS Number | 616210-40-3 |
|---|---|
| SMILES | CCCCOC1=CC=CC=C1/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Cl)S2 |
Product Overview
(5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 616210-40-3), with molecular formula C21H18ClN3O2S and molecular weight 411.08 g/mol. IUPAC: (5E)-5-[(2-butoxyphenyl)methylidene]-2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of (5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Property Insights of (5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
The XLogP value of 4.198 indicates that (5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[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. With a topological polar surface area (TPSA) of 56.49 Ų, (5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one has 0 hydrogen bond donor(s) and 5 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-(2-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The CAS number of (5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 616210-40-3.
What is the molecular formula of (5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular formula of (5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is C21H18ClN3O2S.
What is the molecular weight of (5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular weight of (5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 411.08 g/mol.
Where can I buy (5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
You can request a quote for (5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[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-(2-butoxybenzylidene)-2-(4-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(2-butoxybenzylidene)-2-(4-chlorophenyl)[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.