![(2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide structure](/static/products/840/840515-83-5.png)
(2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide
TL;DR: (2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide (CAS 840515-83-5) is a chemical compound with molecular formula C21H18FN3O3S and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylacetamide
Also Known As: (2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide, (2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylacetamide, (Z)-2-cyano-2-(5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide, 2-cyano-2-{5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-4-oxo(1,3-thiazolidi n-2-ylidene)}-N-methylacetamide
| Molecular Formula | C21H18FN3O3S |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 3.00658 |
| Topological Polar Surface Area | 82.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1053 |
| Heavy Atoms | 29 |
| Complexity | 1014.57654 |
Chemical Identifiers
| CAS Number | 840515-83-5 |
|---|---|
| SMILES | CNC(=O)/C(=C\1/N(C(=O)C(S1)CC2=CC=C(C=C2)F)C3=CC(=CC=C3)OC)/C#N |
Product Overview
(2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide (CAS 840515-83-5), with molecular formula C21H18FN3O3S and molecular weight 411.11 g/mol. IUPAC: (2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylacetamide.
Chemical Property Profile of (2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide
Property Insights of (2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide
The XLogP value of 3.00658 indicates that (2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide. Following Lipinski's Rule of Five, (2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide has 1 hydrogen bond donor(s) and 5 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 (2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide?
The CAS number of (2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide is 840515-83-5.
What is the molecular formula of (2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide?
The molecular formula of (2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide is C21H18FN3O3S.
What is the molecular weight of (2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide?
The molecular weight of (2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide is 411.11 g/mol.
Where can I buy (2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide?
You can request a quote for (2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-cyano-2-[5-(4-fluorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.