![(5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one structure](/static/products/844/844855-35-2.png)
(5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
TL;DR: (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 844855-35-2) is a chemical compound with molecular formula C27H28FN3O2S and molecular weight 477.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-[(E)-2-(4-fluorophenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-((E)-4-fluorostyryl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-5-[(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)METHYLIDENE]-2-[(1E)-2-(4-FLUOROPHENYL)ETHENYL]-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-6-ONE, (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-[(E)-2-(4-fluorophenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
| Molecular Formula | C27H28FN3O2S |
|---|---|
| Molecular Weight | 477.19 g/mol |
| LogP | 5.3088 |
| Topological Polar Surface Area | 67.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 477.18863 |
| Heavy Atoms | 34 |
| Complexity | 1465.9576 |
Chemical Identifiers
| CAS Number | 844855-35-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N3C(=NC(=N3)/C=C/C4=CC=C(C=C4)F)S2 |
Product Overview
(5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 844855-35-2), with molecular formula C27H28FN3O2S and molecular weight 477.19 g/mol. IUPAC: (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-[(E)-2-(4-fluorophenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Property Insights of (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
The XLogP value of 5.3088 indicates that (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][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 67.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one. Following Lipinski's Rule of Five, (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The CAS number of (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 844855-35-2.
What is the molecular formula of (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular formula of (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is C27H28FN3O2S.
What is the molecular weight of (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular weight of (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 477.19 g/mol.
Where can I buy (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
You can request a quote for (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][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 (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][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.