![4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid structure](/static/products/573/573674-08-5.png)
4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid
TL;DR: 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid (CAS 573674-08-5) is a chemical compound with molecular formula C21H13ClN2O5S2 and molecular weight 472.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl]benzoic acid
Also Known As: 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid, (Z)-4-(3-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid, 4-(3-{5-[(4-chlorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-2,5- dioxoazolidinyl)benzoic acid, 4-(3-{5-[1-(4-Chloro-phenyl)-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-2,5-dioxo-pyrrolidin-1-yl)- benzoic acid, 4-[3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl]benzoic acid
| Molecular Formula | C21H13ClN2O5S2 |
|---|---|
| Molecular Weight | 472.00 g/mol |
| LogP | 3.5715 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.99545 |
| Heavy Atoms | 31 |
| Complexity | 1161.2975 |
Chemical Identifiers
| CAS Number | 573674-08-5 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)N3C(=O)/C(=C/C4=CC=C(C=C4)Cl)/SC3=S |
Product Overview
4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid (CAS 573674-08-5), with molecular formula C21H13ClN2O5S2 and molecular weight 472.00 g/mol. IUPAC: 4-[3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid
Property Insights of 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid
The XLogP value of 3.5715 indicates that 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid. Following Lipinski's Rule of Five, 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid has 1 hydrogen bond donor(s) and 6 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 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid?
The CAS number of 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid is 573674-08-5.
What is the molecular formula of 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid?
The molecular formula of 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid is C21H13ClN2O5S2.
What is the molecular weight of 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid?
The molecular weight of 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid is 472.00 g/mol.
Where can I buy 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid?
You can request a quote for 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.