![(2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione structure](/static/products/956/956729-06-9.png)
(2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
TL;DR: (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione (CAS 956729-06-9) is a chemical compound with molecular formula C31H25N5O2S and molecular weight 531.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[[3-(2,5-dimethylphenyl)-1-phenylpyrazol-4-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Also Known As: (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, (Z)-2-((3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-6-(4-methylbenzyl)-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dione, (2Z)-2-[[3-(2,5-dimethylphenyl)-1-phenylpyrazol-4-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
| Molecular Formula | C31H25N5O2S |
|---|---|
| Molecular Weight | 531.17 g/mol |
| LogP | 4.42766 |
| Topological Polar Surface Area | 82.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.1729 |
| Heavy Atoms | 39 |
| Complexity | 2005.2968 |
Chemical Identifiers
| CAS Number | 956729-06-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC2=NN3C(=O)/C(=C/C4=CN(N=C4C5=C(C=CC(=C5)C)C)C6=CC=CC=C6)/SC3=NC2=O |
Product Overview
(2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione (CAS 956729-06-9), with molecular formula C31H25N5O2S and molecular weight 531.17 g/mol. IUPAC: (2Z)-2-[[3-(2,5-dimethylphenyl)-1-phenylpyrazol-4-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
Chemical Property Profile of (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Property Insights of (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
The XLogP value of 4.42766 indicates that (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.15 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione. Following Lipinski's Rule of Five, (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione?
The CAS number of (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione is 956729-06-9.
What is the molecular formula of (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione?
The molecular formula of (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione is C31H25N5O2S.
What is the molecular weight of (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione?
The molecular weight of (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione is 531.17 g/mol.
Where can I buy (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione?
You can request a quote for (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.