2-(4-BR-PH)-5-(4-Fluorobenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
TL;DR: 2-(4-BR-PH)-5-(4-Fluorobenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one (CAS 606957-61-3) is a chemical compound with molecular formula C17H9BrFN3OS and molecular weight 400.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-(4-bromophenyl)-5-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: 2-(4-Bromophenyl)-5-(4-fluorobenzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 2-(4-BR-PH)-5-(4-FLUOROBENZYLIDENE)(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZOL-6(5H)-ONE, (5E)-2-(4-bromophenyl)-5-(4-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-2-(4-bromophenyl)-5-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, 645-726-4
| Molecular Formula | C17H9BrFN3OS |
|---|---|
| Molecular Weight | 400.96 g/mol |
| LogP | 3.2673 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.96338 |
| Heavy Atoms | 24 |
| Complexity | 1133.7592 |
Chemical Identifiers
| CAS Number | 606957-61-3 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2)F |
Product Overview
2-(4-BR-PH)-5-(4-Fluorobenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one (CAS 606957-61-3), with molecular formula C17H9BrFN3OS and molecular weight 400.96 g/mol. IUPAC: (5E)-2-(4-bromophenyl)-5-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of 2-(4-BR-PH)-5-(4-Fluorobenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
Property Insights of 2-(4-BR-PH)-5-(4-Fluorobenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
The XLogP value of 3.2673 indicates that 2-(4-BR-PH)-5-(4-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, 2-(4-BR-PH)-5-(4-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, 2-(4-BR-PH)-5-(4-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 2-(4-BR-PH)-5-(4-Fluorobenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one?
The CAS number of 2-(4-BR-PH)-5-(4-Fluorobenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one is 606957-61-3.
What is the molecular formula of 2-(4-BR-PH)-5-(4-Fluorobenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one?
The molecular formula of 2-(4-BR-PH)-5-(4-Fluorobenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one is C17H9BrFN3OS.
What is the molecular weight of 2-(4-BR-PH)-5-(4-Fluorobenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one?
The molecular weight of 2-(4-BR-PH)-5-(4-Fluorobenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one is 400.96 g/mol.
Where can I buy 2-(4-BR-PH)-5-(4-Fluorobenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one?
You can request a quote for 2-(4-BR-PH)-5-(4-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 2-(4-BR-PH)-5-(4-Fluorobenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-BR-PH)-5-(4-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.