![(5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one structure](/static/products/956/956684-07-4.png)
(5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one
TL;DR: (5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one (CAS 956684-07-4) is a chemical compound with molecular formula C22H18ClN3O2S2 and molecular weight 455.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-[[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-((3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one
| Molecular Formula | C22H18ClN3O2S2 |
|---|---|
| Molecular Weight | 455.05 g/mol |
| LogP | 5.4224 |
| Topological Polar Surface Area | 47.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.0529 |
| Heavy Atoms | 30 |
| Complexity | 1158.4442 |
Chemical Identifiers
| CAS Number | 956684-07-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C)C4=CC=CC=C4)Cl |
Product Overview
(5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one (CAS 956684-07-4), with molecular formula C22H18ClN3O2S2 and molecular weight 455.05 g/mol. IUPAC: (5Z)-5-[[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Property Insights of (5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 5.4224 indicates that (5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.36 Ų, (5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 5 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-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of (5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one is 956684-07-4.
What is the molecular formula of (5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of (5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one is C22H18ClN3O2S2.
What is the molecular weight of (5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of (5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one is 455.05 g/mol.
Where can I buy (5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for (5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-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)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.