![ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate structure](/static/products/590/590380-02-2.png)
ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate
TL;DR: ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate (CAS 590380-02-2) is a chemical compound with molecular formula C17H17BrN2O2S3 and molecular weight 455.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(5-bromothiophen-2-yl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate
Also Known As: ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate, ETHYL 4-({[2-(5-BROMO-2-THIENYL)-1,3-THIAZOLAN-3-YL]CARBOTHIOYL}AMINO)BENZOATE, Ethyl 4-({[2-(5-bromo-2-thienyl)-1,3-thiazolidin-3-yl]carbothioyl}amino)benzoate, ethyl 4-[[2-(5-bromothiophen-2-yl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate, Ethyl 4-[[2-(5-bromothiophen-2-yl)1,3-thiazolidine-3-carbothioyl]amino]benzoate
| Molecular Formula | C17H17BrN2O2S3 |
|---|---|
| Molecular Weight | 455.96 g/mol |
| LogP | 5.1317 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.96356 |
| Heavy Atoms | 25 |
| Complexity | 763.50836 |
Chemical Identifiers
| CAS Number | 590380-02-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCSC2C3=CC=C(S3)Br |
Product Overview
ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate (CAS 590380-02-2), with molecular formula C17H17BrN2O2S3 and molecular weight 455.96 g/mol. IUPAC: ethyl 4-[[2-(5-bromothiophen-2-yl)-1,3-thiazolidine-3-carbothioyl]amino]benzoate.
Chemical Property Profile of ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate
Property Insights of ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate
The XLogP value of 5.1317 indicates that ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate?
The CAS number of ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate is 590380-02-2.
What is the molecular formula of ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate?
The molecular formula of ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate is C17H17BrN2O2S3.
What is the molecular weight of ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate?
The molecular weight of ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate is 455.96 g/mol.
Where can I buy ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate?
You can request a quote for ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({[2-(5-bromothiophen-2-yl)-1,3-thiazolidin-3-yl]carbonothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.