(Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate
TL;DR: (Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate (CAS 786676-55-9) is a chemical compound with molecular formula C22H20N2O3S and molecular weight 392.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[5-benzyl-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate
Also Known As: (Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate, F3077-1039, ethyl (2Z)-2-[5-benzyl-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate, ETHYL 2-[(2Z)-5-BENZYL-3-(4-METHYLPHENYL)-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]-2-CYANOACETATE, ethyl (2Z)-[5-benzyl-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene](cyano)ethanoate
| Molecular Formula | C22H20N2O3S |
|---|---|
| Molecular Weight | 392.12 g/mol |
| LogP | 3.9844 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.11948 |
| Heavy Atoms | 28 |
| Complexity | 945.9972 |
Chemical Identifiers
| CAS Number | 786676-55-9 |
|---|---|
| SMILES | CCOC(=O)/C(=C\1/N(C(=O)C(S1)CC2=CC=CC=C2)C3=CC=C(C=C3)C)/C#N |
Product Overview
(Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate (CAS 786676-55-9), with molecular formula C22H20N2O3S and molecular weight 392.12 g/mol. IUPAC: ethyl (2Z)-2-[5-benzyl-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate.
Chemical Property Profile of (Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate
Property Insights of (Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate
The XLogP value of 3.9844 indicates that (Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate. Following Lipinski's Rule of Five, (Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate has 0 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 (Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate?
The CAS number of (Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate is 786676-55-9.
What is the molecular formula of (Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate?
The molecular formula of (Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate is C22H20N2O3S.
What is the molecular weight of (Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate?
The molecular weight of (Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate is 392.12 g/mol.
Where can I buy (Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate?
You can request a quote for (Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 2-(5-benzyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-2-cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.