5-(3-Bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
TL;DR: 5-(3-Bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one (CAS 292076-02-9) is a chemical compound with molecular formula C12H9BrFNOS2 and molecular weight 344.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-bromo-4-fluorophenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-(3-bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one, AM-879/12214015, (5Z)-5-(3-bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-[(3-bromo-4-fluorophenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C12H9BrFNOS2 |
|---|---|
| Molecular Weight | 344.93 g/mol |
| LogP | 3.8093 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.9293 |
| Heavy Atoms | 18 |
| Complexity | 559.0084 |
Chemical Identifiers
| CAS Number | 292076-02-9 |
|---|---|
| SMILES | CCN1C(=O)/C(=C/C2=CC(=C(C=C2)F)Br)/SC1=S |
Product Overview
5-(3-Bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one (CAS 292076-02-9), with molecular formula C12H9BrFNOS2 and molecular weight 344.93 g/mol. IUPAC: (5Z)-5-[(3-bromo-4-fluorophenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-(3-Bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Property Insights of 5-(3-Bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 3.8093 indicates that 5-(3-Bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 5-(3-Bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 3 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-(3-Bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of 5-(3-Bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one is 292076-02-9.
What is the molecular formula of 5-(3-Bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of 5-(3-Bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one is C12H9BrFNOS2.
What is the molecular weight of 5-(3-Bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of 5-(3-Bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one is 344.93 g/mol.
Where can I buy 5-(3-Bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for 5-(3-Bromo-4-fluorobenzylidene)-3-ethyl-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 5-(3-Bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Bromo-4-fluorobenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.