(2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one
TL;DR: (2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one (CAS 956979-07-0) is a chemical compound with molecular formula C26H25N3O2S and molecular weight 443.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3-dimethyl-2-oxobutylidene)-5-[[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one
Also Known As: (2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one, 2-(3,3-dimethyl-2-oxobutylidene)-5-[[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one, 2-(3,3-dimethyl-2-oxobutylidene)-5-{[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene}-1,3-thiazolidin-4-one
| Molecular Formula | C26H25N3O2S |
|---|---|
| Molecular Weight | 443.17 g/mol |
| LogP | 3.82202 |
| Topological Polar Surface Area | 67.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.16675 |
| Heavy Atoms | 32 |
| Complexity | 1451.2079 |
Chemical Identifiers
| CAS Number | 956979-07-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN(C=C2C=C3C(=O)NC(=CC(=O)C(C)(C)C)S3)C4=CC=CC=C4 |
Product Overview
(2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one (CAS 956979-07-0), with molecular formula C26H25N3O2S and molecular weight 443.17 g/mol. IUPAC: 2-(3,3-dimethyl-2-oxobutylidene)-5-[[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one.
Chemical Property Profile of (2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one
Property Insights of (2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one
The XLogP value of 3.82202 indicates that (2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one. Following Lipinski's Rule of Five, (2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one has 1 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 (2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one?
The CAS number of (2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one is 956979-07-0.
What is the molecular formula of (2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one?
The molecular formula of (2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one is C26H25N3O2S.
What is the molecular weight of (2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one?
The molecular weight of (2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one is 443.17 g/mol.
Where can I buy (2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one?
You can request a quote for (2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (2Z,5Z)-2-(3,3-Dimethyl-2-oxobutylidene)-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.