(5E)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
TL;DR: (5E)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 606955-71-9) is a chemical compound with molecular formula C17H8Cl2FN3OS and molecular weight 390.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-(2,4-dichlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5E)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 2-(2,4-Dichlorophenyl)-5-(3-fluorobenzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-2-(2,4-Dichlorophenyl)-5-(3-fluorobenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one, (5E)-2-(2,4-dichlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, 637-705-3
| Molecular Formula | C17H8Cl2FN3OS |
|---|---|
| Molecular Weight | 390.97 g/mol |
| LogP | 3.8116 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.9749 |
| Heavy Atoms | 25 |
| Complexity | 1218.5793 |
Chemical Identifiers
| CAS Number | 606955-71-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)/C=C/2\C(=O)N3C(=NC(=N3)C4=C(C=C(C=C4)Cl)Cl)S2 |
Product Overview
(5E)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 606955-71-9), with molecular formula C17H8Cl2FN3OS and molecular weight 390.97 g/mol. IUPAC: (5E)-2-(2,4-dichlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of (5E)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Property Insights of (5E)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
The XLogP value of 3.8116 indicates that (5E)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[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 47.26 Ų, (5E)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[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)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one has 0 hydrogen bond donor(s) and 4 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)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The CAS number of (5E)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 606955-71-9.
What is the molecular formula of (5E)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular formula of (5E)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is C17H8Cl2FN3OS.
What is the molecular weight of (5E)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular weight of (5E)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 390.97 g/mol.
Where can I buy (5E)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
You can request a quote for (5E)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[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)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-2-(2,4-dichlorophenyl)-5-(3-fluorobenzylidene)[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.