![5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid structure](/static/products/904/904512-01-2.png)
5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid
TL;DR: 5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid (CAS 904512-01-2) is a chemical compound with molecular formula C21H16N2O5S2 and molecular weight 440.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-2-[[2-[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
Also Known As: 5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid, 5-hydroxy-2-(2-((E)-4-oxo-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-3-yl)acetamido)benzoic acid, 5-hydroxy-2-[[2-[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
| Molecular Formula | C21H16N2O5S2 |
|---|---|
| Molecular Weight | 440.05 g/mol |
| LogP | 3.4865 |
| Topological Polar Surface Area | 106.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.05005 |
| Heavy Atoms | 30 |
| Complexity | 1080.0592 |
Chemical Identifiers
| CAS Number | 904512-01-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N(C(=S)S2)CC(=O)NC3=C(C=C(C=C3)O)C(=O)O |
Product Overview
5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid (CAS 904512-01-2), with molecular formula C21H16N2O5S2 and molecular weight 440.05 g/mol. IUPAC: 5-hydroxy-2-[[2-[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid.
Chemical Property Profile of 5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid
Property Insights of 5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid
The XLogP value of 3.4865 indicates that 5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid. Following Lipinski's Rule of Five, 5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid has 3 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-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid?
The CAS number of 5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid is 904512-01-2.
What is the molecular formula of 5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid?
The molecular formula of 5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid is C21H16N2O5S2.
What is the molecular weight of 5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid?
The molecular weight of 5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid is 440.05 g/mol.
Where can I buy 5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid?
You can request a quote for 5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-hydroxy-2-[({(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.