(E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)amino)benzoate
TL;DR: (E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)amino)benzoate (CAS 373616-68-3) is a chemical compound with molecular formula C21H15Cl2N3O2S and molecular weight 443.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(E)-2-cyano-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate
Also Known As: (E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)amino)benzoate, ethyl 4-({(E)-2-cyano-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate, ethyl 4-[[(E)-2-cyano-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate, Ethyl 4-[[2-cyano-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate
| Molecular Formula | C21H15Cl2N3O2S |
|---|---|
| Molecular Weight | 443.03 g/mol |
| LogP | 6.27018 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.0262 |
| Heavy Atoms | 29 |
| Complexity | 1101.8591 |
Chemical Identifiers
| CAS Number | 373616-68-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
(E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)amino)benzoate (CAS 373616-68-3), with molecular formula C21H15Cl2N3O2S and molecular weight 443.03 g/mol. IUPAC: ethyl 4-[[(E)-2-cyano-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate.
Chemical Property Profile of (E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)amino)benzoate
Property Insights of (E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)amino)benzoate
The XLogP value of 6.27018 indicates that (E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)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 (E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)amino)benzoate. Following Lipinski's Rule of Five, (E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)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 (E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)amino)benzoate?
The CAS number of (E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)amino)benzoate is 373616-68-3.
What is the molecular formula of (E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)amino)benzoate?
The molecular formula of (E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)amino)benzoate is C21H15Cl2N3O2S.
What is the molecular weight of (E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)amino)benzoate?
The molecular weight of (E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)amino)benzoate is 443.03 g/mol.
Where can I buy (E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)amino)benzoate?
You can request a quote for (E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-((2-cyano-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)vinyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.