![(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one structure](/static/products/676/676469-96-8.png)
(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
TL;DR: (5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one (CAS 676469-96-8) is a chemical compound with molecular formula C14H13FN2OS2 and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one, (E)-5-(3-fluoro-4-(pyrrolidin-1-yl)benzylidene)-2-thioxothiazolidin-4-one, 5-[3-fluoro-4-(1-pyrrolidinyl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one, (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C14H13FN2OS2 |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | 2.9147 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.04532 |
| Heavy Atoms | 20 |
| Complexity | 609.1915 |
Chemical Identifiers
| CAS Number | 676469-96-8 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)/C=C/3\C(=O)NC(=S)S3)F |
Product Overview
(5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one (CAS 676469-96-8), with molecular formula C14H13FN2OS2 and molecular weight 308.05 g/mol. IUPAC: (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Property Insights of (5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 2.9147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one. With a topological polar surface area (TPSA) of 32.34 Ų, (5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one has 1 hydrogen bond donor(s) and 4 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]-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of (5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one is 676469-96-8.
What is the molecular formula of (5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of (5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one is C14H13FN2OS2.
What is the molecular weight of (5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of (5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one is 308.05 g/mol.
Where can I buy (5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for (5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one 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]-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.