![{(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid structure](/static/products/6781/678151-37-6.webp)
{(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
TL;DR: {(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid (CAS 678151-37-6) is a chemical compound with molecular formula C16H15FN2O3S2 and molecular weight 366.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: {(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid, (E)-2-(5-(3-fluoro-4-(pyrrolidin-1-yl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, 2-[(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C16H15FN2O3S2 |
|---|---|
| Molecular Weight | 366.05 g/mol |
| LogP | 2.7117 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.0508 |
| Heavy Atoms | 24 |
| Complexity | 744.83813 |
Chemical Identifiers
| CAS Number | 678151-37-6 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)F |
Product Overview
{(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid (CAS 678151-37-6), with molecular formula C16H15FN2O3S2 and molecular weight 366.05 g/mol. IUPAC: 2-[(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of {(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Property Insights of {(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
The XLogP value of 2.7117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for {(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid. Following Lipinski's Rule of Five, {(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic 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 {(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid?
The CAS number of {(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid is 678151-37-6.
What is the molecular formula of {(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid?
The molecular formula of {(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid is C16H15FN2O3S2.
What is the molecular weight of {(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid?
The molecular weight of {(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid is 366.05 g/mol.
Where can I buy {(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid?
You can request a quote for {(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.