![3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid structure](/static/products/902/902313-40-0.png)
3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
TL;DR: 3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid (CAS 902313-40-0) is a chemical compound with molecular formula C17H13ClN2O4S2 and molecular weight 408.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: 3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid, (Z)-3-(5-((5-chloro-8-methoxyquinolin-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-[(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 3-{5-[(5-chloro-8-methoxy(2-quinolyl))methylene]-4-oxo-2-thioxo-1,3-thiazolidi n-3-yl}propanoic acid
| Molecular Formula | C17H13ClN2O4S2 |
|---|---|
| Molecular Weight | 408.00 g/mol |
| LogP | 3.5727 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.00052 |
| Heavy Atoms | 26 |
| Complexity | 961.1736 |
Chemical Identifiers
| CAS Number | 902313-40-0 |
|---|---|
| SMILES | COC1=C2C(=C(C=C1)Cl)C=CC(=N2)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)O |
Product Overview
3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid (CAS 902313-40-0), with molecular formula C17H13ClN2O4S2 and molecular weight 408.00 g/mol. IUPAC: 3-[(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of 3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
Property Insights of 3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
The XLogP value of 3.5727 indicates that 3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid. Following Lipinski's Rule of Five, 3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic 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 3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
The CAS number of 3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid is 902313-40-0.
What is the molecular formula of 3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
The molecular formula of 3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid is C17H13ClN2O4S2.
What is the molecular weight of 3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
The molecular weight of 3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid is 408.00 g/mol.
Where can I buy 3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
You can request a quote for 3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{(5Z)-5-[(5-chloro-8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.