![3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid structure](/static/products/1641/1641543-78-3.webp)
3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid
TL;DR: 3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid (CAS 1641543-78-3) is a chemical compound with molecular formula C13H10ClNO3S2 and molecular weight 326.97906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: 3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid, BAS 00404749, 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, (Z)-3-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, F0385-0059
Technical Specifications
| Molecular Formula | C13H10ClNO3S2 |
| Molecular Weight | 326.97906 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.97906 Da |
| Heavy Atoms | 20 |
| Complexity | 459.0 |
| SMILES | C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCC(=O)O)Cl |
| InChIKey | NEACZKMYFFINAR-YFHOEESVSA-N |
Chemical Property Profile of 3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid
Property Insights of 3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid
The XLogP value of 3.1 indicates that 3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid. Following Lipinski's Rule of Five, 3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic 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
What is the CAS number of 3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid?
The CAS number of 3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid is 1641543-78-3.
What is the molecular formula of 3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid?
The molecular formula of 3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid is C13H10ClNO3S2.
What is the molecular weight of 3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid?
The molecular weight of 3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid is 326.97906 g/mol.
Where can I buy 3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid?
You can request a quote for 3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid?
Yes, CoreyChem provides custom synthesis services for 3-[5-(4-Chloro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.