(5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione
TL;DR: (5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione (CAS 692268-49-8) is a chemical compound with molecular formula C12H10FNO2S and molecular weight 251.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-ethyl-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: (5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione, (5E)-3-ethyl-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
| Molecular Formula | C12H10FNO2S |
|---|---|
| Molecular Weight | 251.04 g/mol |
| LogP | 2.8819 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.04163 |
| Heavy Atoms | 17 |
| Complexity | 512.982 |
Chemical Identifiers
| CAS Number | 692268-49-8 |
|---|---|
| SMILES | CCN1C(=O)/C(=C\C2=CC(=CC=C2)F)/SC1=O |
Product Overview
(5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione (CAS 692268-49-8), with molecular formula C12H10FNO2S and molecular weight 251.04 g/mol. IUPAC: (5E)-3-ethyl-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of (5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione
Property Insights of (5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione
The XLogP value of 2.8819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione. With a topological polar surface area (TPSA) of 37.38 Ų, (5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione 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 (5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione?
The CAS number of (5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione is 692268-49-8.
What is the molecular formula of (5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione?
The molecular formula of (5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione is C12H10FNO2S.
What is the molecular weight of (5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione?
The molecular weight of (5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione is 251.04 g/mol.
Where can I buy (5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione?
You can request a quote for (5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-3-ethyl-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.