(E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide
TL;DR: (E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide (CAS 892622-89-8) is a chemical compound with molecular formula C22H18FN3O2S2 and molecular weight 439.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
Also Known As: (E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide, 2-[(5E)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide, 2-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
| Molecular Formula | C22H18FN3O2S2 |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 3.8671 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.08246 |
| Heavy Atoms | 30 |
| Complexity | 1154.6588 |
Chemical Identifiers
| CAS Number | 892622-89-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CN3C(=O)/C(=C\C4=CC=C(C=C4)F)/SC3=S |
Product Overview
(E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide (CAS 892622-89-8), with molecular formula C22H18FN3O2S2 and molecular weight 439.08 g/mol. IUPAC: 2-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
Chemical Property Profile of (E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide
Property Insights of (E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide
The XLogP value of 3.8671 indicates that (E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide. Following Lipinski's Rule of Five, (E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide has 2 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 (E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide?
The CAS number of (E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide is 892622-89-8.
What is the molecular formula of (E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide?
The molecular formula of (E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide is C22H18FN3O2S2.
What is the molecular weight of (E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide?
The molecular weight of (E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide is 439.08 g/mol.
Where can I buy (E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide?
You can request a quote for (E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(2-(1H-indol-3-yl)ethyl)-2-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.