(E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
TL;DR: (E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid (CAS 302949-50-4) is a chemical compound with molecular formula C13H9ClN2O5S2 and molecular weight 371.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: (E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-[(5E)-5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid, 3-[(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C13H9ClN2O5S2 |
|---|---|
| Molecular Weight | 371.96 g/mol |
| LogP | 2.9241 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.96414 |
| Heavy Atoms | 23 |
| Complexity | 749.8805 |
Chemical Identifiers
| CAS Number | 302949-50-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O)[N+](=O)[O-])Cl |
Product Overview
(E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid (CAS 302949-50-4), with molecular formula C13H9ClN2O5S2 and molecular weight 371.96 g/mol. IUPAC: 3-[(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of (E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
Property Insights of (E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
The XLogP value of 2.9241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid. Following Lipinski's Rule of Five, (E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-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 (E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The CAS number of (E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is 302949-50-4.
What is the molecular formula of (E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The molecular formula of (E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is C13H9ClN2O5S2.
What is the molecular weight of (E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The molecular weight of (E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is 371.96 g/mol.
Where can I buy (E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
You can request a quote for (E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-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 (E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.