![(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one structure](/static/products/116/1164512-58-6.png)
(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
TL;DR: (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 1164512-58-6) is a chemical compound with molecular formula C25H23N3O4S3 and molecular weight 525.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one, (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one, 3-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-5-[1-[3-(4-ethoxy-phenyl)-1-phenyl-1H-pyrazol-4-yl]- meth-(Z)-ylidene]-2-thioxo-thiazolidin-4-one, (5Z)-3-(1,1-diketothiolan-3-yl)-5-[(1-phenyl-3-p-phenetyl-pyrazol-4-yl)methylene]-2-thioxo-thiazolidin-4-one
| Molecular Formula | C25H23N3O4S3 |
|---|---|
| Molecular Weight | 525.09 g/mol |
| LogP | 4.3263 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 525.0851 |
| Heavy Atoms | 35 |
| Complexity | 1413.8936 |
Chemical Identifiers
| CAS Number | 1164512-58-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4)C5=CC=CC=C5 |
Product Overview
(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 1164512-58-6), with molecular formula C25H23N3O4S3 and molecular weight 525.09 g/mol. IUPAC: (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Property Insights of (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
The XLogP value of 4.3263 indicates that (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-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)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The CAS number of (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is 1164512-58-6.
What is the molecular formula of (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The molecular formula of (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is C25H23N3O4S3.
What is the molecular weight of (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The molecular weight of (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is 525.09 g/mol.
Where can I buy (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
You can request a quote for (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-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 (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.