(E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide
TL;DR: (E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide (CAS 845652-89-3) is a chemical compound with molecular formula C25H17F2N3O2S and molecular weight 461.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[5-benzyl-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)acetamide
Also Known As: (E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide, (2E)-2-[5-benzyl-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)acetamide, (2E)-2-[5-benzyl-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)ethanamide
| Molecular Formula | C25H17F2N3O2S |
|---|---|
| Molecular Weight | 461.10 g/mol |
| LogP | 5.02978 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.10095 |
| Heavy Atoms | 33 |
| Complexity | 1253.5645 |
Chemical Identifiers
| CAS Number | 845652-89-3 |
|---|---|
| SMILES | C1=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)F |
Product Overview
(E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide (CAS 845652-89-3), with molecular formula C25H17F2N3O2S and molecular weight 461.10 g/mol. IUPAC: (2E)-2-[5-benzyl-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of (E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide
Property Insights of (E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide
The XLogP value of 5.02978 indicates that (E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide 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 (E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, (E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide 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 (E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide?
The CAS number of (E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide is 845652-89-3.
What is the molecular formula of (E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide?
The molecular formula of (E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide is C25H17F2N3O2S.
What is the molecular weight of (E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide?
The molecular weight of (E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide is 461.10 g/mol.
Where can I buy (E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide?
You can request a quote for (E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(5-benzyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-(4-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.