![5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid structure](/static/products/1322/132272-16-3.webp)
5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid
TL;DR: 5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid (CAS 132272-16-3) is a chemical compound with molecular formula C15H11ClN2O5S2 and molecular weight 397.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: 5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid, 3-[5-[2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 3-{5-[2-Chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
| Molecular Formula | C15H11ClN2O5S2 |
|---|---|
| Molecular Weight | 397.98 g/mol |
| LogP | 3.3934 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.9798 |
| Heavy Atoms | 25 |
| Complexity | 804.64465 |
Chemical Identifiers
| CAS Number | 132272-16-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C=C2C(=O)N(C(=S)S2)CCC(=O)O)Cl)[N+](=O)[O-] |
Product Overview
5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid (CAS 132272-16-3), with molecular formula C15H11ClN2O5S2 and molecular weight 397.98 g/mol. IUPAC: 3-[5-[2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of 5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid
Property Insights of 5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid
The XLogP value of 3.3934 indicates that 5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid. Following Lipinski's Rule of Five, 5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic 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 5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid?
The CAS number of 5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid is 132272-16-3.
What is the molecular formula of 5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid?
The molecular formula of 5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid is C15H11ClN2O5S2.
What is the molecular weight of 5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid?
The molecular weight of 5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid is 397.98 g/mol.
Where can I buy 5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid?
You can request a quote for 5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-Chloro-3-(4-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.