![(5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one structure](/static/products/623/623935-06-8.png)
(5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
TL;DR: (5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 623935-06-8) is a chemical compound with molecular formula C31H27N5O3S and molecular weight 549.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-2-(4-methoxyphenyl)-5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-((3-(4-Isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-(4-methoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-2-(4-methoxyphenyl)-5-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-2-(4-methoxyphenyl)-5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (5Z)-5-((3-(4-Isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-2-(4-methoxyphenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
| Molecular Formula | C31H27N5O3S |
|---|---|
| Molecular Weight | 549.18 g/mol |
| LogP | 5.2618 |
| Topological Polar Surface Area | 83.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.1835 |
| Heavy Atoms | 40 |
| Complexity | 1872.1317 |
Chemical Identifiers
| CAS Number | 623935-06-8 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OC)S3)C6=CC=CC=C6 |
Product Overview
(5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 623935-06-8), with molecular formula C31H27N5O3S and molecular weight 549.18 g/mol. IUPAC: (5Z)-2-(4-methoxyphenyl)-5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of (5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Property Insights of (5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
The XLogP value of 5.2618 indicates that (5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[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 (5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one. Following Lipinski's Rule of Five, (5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[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 (5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The CAS number of (5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 623935-06-8.
What is the molecular formula of (5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular formula of (5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is C31H27N5O3S.
What is the molecular weight of (5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular weight of (5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 549.18 g/mol.
Where can I buy (5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
You can request a quote for (5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[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-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[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.