(Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate
TL;DR: (Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate (CAS 477296-45-0) is a chemical compound with molecular formula C21H16BrN3O2S and molecular weight 453.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(Z)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzoate
Also Known As: (Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate, F0837-0265, ethyl 2-[[(Z)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzoate, ethyl 2-{[(1Z)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoeth-1-en-1-yl]amino}benzoate, Ethyl 2-[[2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]amino]benzoate
| Molecular Formula | C21H16BrN3O2S |
|---|---|
| Molecular Weight | 453.01 g/mol |
| LogP | 5.72588 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.01465 |
| Heavy Atoms | 28 |
| Complexity | 1069.2627 |
Chemical Identifiers
| CAS Number | 477296-45-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1N/C=C(/C#N)\C2=NC(=CS2)C3=CC(=CC=C3)Br |
Product Overview
(Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate (CAS 477296-45-0), with molecular formula C21H16BrN3O2S and molecular weight 453.01 g/mol. IUPAC: ethyl 2-[[(Z)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzoate.
Chemical Property Profile of (Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate
Property Insights of (Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate
The XLogP value of 5.72588 indicates that (Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate. Following Lipinski's Rule of Five, (Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate?
The CAS number of (Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate is 477296-45-0.
What is the molecular formula of (Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate?
The molecular formula of (Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate is C21H16BrN3O2S.
What is the molecular weight of (Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate?
The molecular weight of (Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate is 453.01 g/mol.
Where can I buy (Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate?
You can request a quote for (Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate 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-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 2-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.