![4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid structure](/static/products/904/904515-63-5.png)
4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
TL;DR: 4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid (CAS 904515-63-5) is a chemical compound with molecular formula C17H13ClN2O3S2 and molecular weight 392.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: 4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid, (Z)-4-(5-((8-chloroquinolin-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, 4-[(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, 4-[5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic Acid, 4-{5-[(8-chloro(2-quinolyl))methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}but anoic acid
| Molecular Formula | C17H13ClN2O3S2 |
|---|---|
| Molecular Weight | 392.01 g/mol |
| LogP | 3.9542 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.0056 |
| Heavy Atoms | 25 |
| Complexity | 913.9011 |
Chemical Identifiers
| CAS Number | 904515-63-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)N=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)O |
Product Overview
4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid (CAS 904515-63-5), with molecular formula C17H13ClN2O3S2 and molecular weight 392.01 g/mol. IUPAC: 4-[(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of 4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
Property Insights of 4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
The XLogP value of 3.9542 indicates that 4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid. Following Lipinski's Rule of Five, 4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid has 1 hydrogen bond donor(s) and 5 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-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid?
The CAS number of 4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid is 904515-63-5.
What is the molecular formula of 4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid?
The molecular formula of 4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid is C17H13ClN2O3S2.
What is the molecular weight of 4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid?
The molecular weight of 4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid is 392.01 g/mol.
Where can I buy 4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid?
You can request a quote for 4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.