![(2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide structure](/static/products/846/846594-27-2.png)
(2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide
TL;DR: (2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide (CAS 846594-27-2) is a chemical compound with molecular formula C26H19ClFN3O2S and molecular weight 491.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[3-(4-chlorophenyl)-5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)acetamide
Also Known As: (2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide, (2E)-2-[3-(4-chlorophenyl)-5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)acetamide, (E)-2-(3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide
| Molecular Formula | C26H19ClFN3O2S |
|---|---|
| Molecular Weight | 491.09 g/mol |
| LogP | 5.8525 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.08707 |
| Heavy Atoms | 34 |
| Complexity | 1299.8724 |
Chemical Identifiers
| CAS Number | 846594-27-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC2C(=O)N(/C(=C(/C#N)\C(=O)NC3=CC=C(C=C3)F)/S2)C4=CC=C(C=C4)Cl |
Product Overview
(2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide (CAS 846594-27-2), with molecular formula C26H19ClFN3O2S and molecular weight 491.09 g/mol. IUPAC: (2E)-2-[3-(4-chlorophenyl)-5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of (2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide
Property Insights of (2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide
The XLogP value of 5.8525 indicates that (2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide. Following Lipinski's Rule of Five, (2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide?
The CAS number of (2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide is 846594-27-2.
What is the molecular formula of (2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide?
The molecular formula of (2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide is C26H19ClFN3O2S.
What is the molecular weight of (2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide?
The molecular weight of (2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide is 491.09 g/mol.
Where can I buy (2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide?
You can request a quote for (2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-[3-(4-chlorophenyl)-5-(4-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.