(Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide
TL;DR: (Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide (CAS 786676-90-2) is a chemical compound with molecular formula C20H15ClFN3O2S and molecular weight 415.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[5-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide
Also Known As: (Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide, F3077-1158, (2Z)-2-[5-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide, 2-[(2Z)-5-[(2-CHLOROPHENYL)METHYL]-3-(4-FLUOROPHENYL)-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]-2-CYANO-N-METHYLACETAMIDE, (2Z)-2-[5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylethanamide
| Molecular Formula | C20H15ClFN3O2S |
|---|---|
| Molecular Weight | 415.06 g/mol |
| LogP | 3.65138 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.05576 |
| Heavy Atoms | 28 |
| Complexity | 1001.25555 |
Chemical Identifiers
| CAS Number | 786676-90-2 |
|---|---|
| SMILES | CNC(=O)/C(=C\1/N(C(=O)C(S1)CC2=CC=CC=C2Cl)C3=CC=C(C=C3)F)/C#N |
Product Overview
(Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide (CAS 786676-90-2), with molecular formula C20H15ClFN3O2S and molecular weight 415.06 g/mol. IUPAC: (2Z)-2-[5-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide.
Chemical Property Profile of (Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide
Property Insights of (Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide
The XLogP value of 3.65138 indicates that (Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide 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 (Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide. Following Lipinski's Rule of Five, (Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide has 1 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 (Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide?
The CAS number of (Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide is 786676-90-2.
What is the molecular formula of (Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide?
The molecular formula of (Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide is C20H15ClFN3O2S.
What is the molecular weight of (Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide?
The molecular weight of (Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide is 415.06 g/mol.
Where can I buy (Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide?
You can request a quote for (Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(5-(2-chlorobenzyl)-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-2-cyano-N-methylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.