![5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one structure](/static/products/7066/7066-89-9.webp)
5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
TL;DR: 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 7066-89-9) is a chemical compound with molecular formula C36H36FN5O3S and molecular weight 637.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-(4-butoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-[[3-(4-butoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
| Molecular Formula | C36H36FN5O3S |
|---|---|
| Molecular Weight | 637.25 g/mol |
| LogP | 7.4955 |
| Topological Polar Surface Area | 83.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 637.2523 |
| Heavy Atoms | 46 |
| Complexity | 2018.7655 |
Chemical Identifiers
| CAS Number | 7066-89-9 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OCCCC)F)C6=CC=CC=C6)SC3=N2 |
Product Overview
5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 7066-89-9), with molecular formula C36H36FN5O3S and molecular weight 637.25 g/mol. IUPAC: 5-[[3-(4-butoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Property Insights of 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
The XLogP value of 7.4955 indicates that 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][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 83.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one. Following Lipinski's Rule of Five, 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The CAS number of 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 7066-89-9.
What is the molecular formula of 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular formula of 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is C36H36FN5O3S.
What is the molecular weight of 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular weight of 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 637.25 g/mol.
Where can I buy 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
You can request a quote for 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][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 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][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.