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(2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione structure
Fine Chemical

(2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methoxybenzyl)-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-methoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione (CAS 1008879-74-0) is a chemical compound with molecular formula C31H25N5O3S and molecular weight 547.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(2Z)-2-[[3-(2,5-dimethylphenyl)-1-phenylpyrazol-4-yl]methylidene]-6-[(4-methoxyphenyl)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-methoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, (2Z)-2-[[3-(2,5-dimethylphenyl)-1-phenylpyrazol-4-yl]methylidene]-6-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione, (Z)-2-((3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-6-(4-methoxybenzyl)-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dione

CAS Number
1008879-74-0
Molecular Formula
C31H25N5O3S
Molecular Weight
547.1678 g/mol
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Technical Specifications

Molecular FormulaC31H25N5O3S
Molecular Weight547.1678 g/mol
XLogP6.1
Topological Polar Surface Area (TPSA)114.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds6
Exact Mass547.1678 Da
Heavy Atoms40
Complexity1060.0
SMILESCC1=CC(=C(C=C1)C)C2=NN(C=C2/C=C\3/C(=O)N4C(=NC(=O)C(=N4)CC5=CC=C(C=C5)OC)S3)C6=CC=CC=C6
InChIKeyHATIMSCWZYYMTN-PKAZHMFMSA-N

Chemical Property Profile of (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione

XLogP
6.1
TPSA (Topological Polar Surface Area)
114.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
6
Heavy Atoms
40
Complexity
1060.0
Exact Mass
547.1678
Monoisotopic Mass
547.1678
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione

The XLogP value of 6.1 indicates that (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methoxybenzyl)-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 114.0 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-methoxybenzyl)-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-methoxybenzyl)-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

What is the CAS number of (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methoxybenzyl)-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-methoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione is 1008879-74-0.

What is the molecular formula of (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methoxybenzyl)-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-methoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione is C31H25N5O3S.

What is the molecular weight of (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methoxybenzyl)-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-methoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione is 547.1678 g/mol.

Where can I buy (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione?

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Yes, CoreyChem provides custom synthesis services for (2Z)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methoxybenzyl)-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.

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