![3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid structure](/static/products/6922/692276-76-9.webp)
3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
TL;DR: 3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid (CAS 692276-76-9) is a chemical compound with molecular formula C16H13NO4S2 and molecular weight 347.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: 3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid, 3-[4-Oxo-5-(4-prop-2-ynyloxy-benzylidene)-2-thioxo-thiazolidin-3-yl]-propionic acid, 3-[(5E)-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 3-[4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic Acid
| Molecular Formula | C16H13NO4S2 |
|---|---|
| Molecular Weight | 347.03 g/mol |
| LogP | 2.3745 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.0286 |
| Heavy Atoms | 23 |
| Complexity | 703.7856 |
Chemical Identifiers
| CAS Number | 692276-76-9 |
|---|---|
| SMILES | C#CCOC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O |
Product Overview
3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid (CAS 692276-76-9), with molecular formula C16H13NO4S2 and molecular weight 347.03 g/mol. IUPAC: 3-[(5E)-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of 3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
Property Insights of 3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
The XLogP value of 2.3745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid. Following Lipinski's Rule of Five, 3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic 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
Frequently Asked Questions
What is the CAS number of 3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
The CAS number of 3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid is 692276-76-9.
What is the molecular formula of 3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
The molecular formula of 3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid is C16H13NO4S2.
What is the molecular weight of 3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
The molecular weight of 3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid is 347.03 g/mol.
Where can I buy 3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
You can request a quote for 3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-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-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{(5E)-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.