(E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetate
TL;DR: (E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetate (CAS 1164561-00-5) is a chemical compound with molecular formula C16H15BrN2O3S and molecular weight 394.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[3-(4-bromophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate
Also Known As: (E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetate, [3-(4-Bromo-phenyl)-5-ethyl-4-oxo-thiazolidin-(2E)-ylidene]-cyano-acetic acid ethyl ester, ethyl (2E)-[3-(4-bromophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene](cyano)ethanoate, ethyl (2E)-2-[3-(4-bromophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate
| Molecular Formula | C16H15BrN2O3S |
|---|---|
| Molecular Weight | 394.00 g/mol |
| LogP | 3.60578 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.9987 |
| Heavy Atoms | 23 |
| Complexity | 694.27203 |
Chemical Identifiers
| CAS Number | 1164561-00-5 |
|---|---|
| SMILES | CCC1C(=O)N(/C(=C(/C#N)\C(=O)OCC)/S1)C2=CC=C(C=C2)Br |
Product Overview
(E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetate (CAS 1164561-00-5), with molecular formula C16H15BrN2O3S and molecular weight 394.00 g/mol. IUPAC: ethyl (2E)-2-[3-(4-bromophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate.
Chemical Property Profile of (E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetate
Property Insights of (E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetate
The XLogP value of 3.60578 indicates that (E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-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 (E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetate. Following Lipinski's Rule of Five, (E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-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 (E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetate?
The CAS number of (E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetate is 1164561-00-5.
What is the molecular formula of (E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetate?
The molecular formula of (E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetate is C16H15BrN2O3S.
What is the molecular weight of (E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetate?
The molecular weight of (E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetate is 394.00 g/mol.
Where can I buy (E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetate?
You can request a quote for (E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-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 (E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-(3-(4-bromophenyl)-5-ethyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.