(E)-ethyl 2-((2-cyano-2-(4-(4-isobutylphenyl)thiazol-2-yl)vinyl)amino)benzoate
TL;DR: (E)-ethyl 2-((2-cyano-2-(4-(4-isobutylphenyl)thiazol-2-yl)vinyl)amino)benzoate (CAS 477296-52-9) is a chemical compound with molecular formula C25H25N3O2S and molecular weight 431.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-2-cyano-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]ethenyl]amino]benzoate
Also Known As: (E)-ethyl 2-((2-cyano-2-(4-(4-isobutylphenyl)thiazol-2-yl)vinyl)amino)benzoate, ethyl 2-[[(E)-2-cyano-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]ethenyl]amino]benzoate, Ethyl 2-[[2-cyano-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]ethenyl]amino]benzoate, ethyl 2-{[(E)-2-cyano-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}ethenyl]amino}benzoate
| Molecular Formula | C25H25N3O2S |
|---|---|
| Molecular Weight | 431.17 g/mol |
| LogP | 6.16188 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.16675 |
| Heavy Atoms | 31 |
| Complexity | 1108.2958 |
Chemical Identifiers
| CAS Number | 477296-52-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)CC(C)C |
Product Overview
(E)-ethyl 2-((2-cyano-2-(4-(4-isobutylphenyl)thiazol-2-yl)vinyl)amino)benzoate (CAS 477296-52-9), with molecular formula C25H25N3O2S and molecular weight 431.17 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]ethenyl]amino]benzoate.
Chemical Property Profile of (E)-ethyl 2-((2-cyano-2-(4-(4-isobutylphenyl)thiazol-2-yl)vinyl)amino)benzoate
Property Insights of (E)-ethyl 2-((2-cyano-2-(4-(4-isobutylphenyl)thiazol-2-yl)vinyl)amino)benzoate
The XLogP value of 6.16188 indicates that (E)-ethyl 2-((2-cyano-2-(4-(4-isobutylphenyl)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 2-((2-cyano-2-(4-(4-isobutylphenyl)thiazol-2-yl)vinyl)amino)benzoate. Following Lipinski's Rule of Five, (E)-ethyl 2-((2-cyano-2-(4-(4-isobutylphenyl)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 2-((2-cyano-2-(4-(4-isobutylphenyl)thiazol-2-yl)vinyl)amino)benzoate?
The CAS number of (E)-ethyl 2-((2-cyano-2-(4-(4-isobutylphenyl)thiazol-2-yl)vinyl)amino)benzoate is 477296-52-9.
What is the molecular formula of (E)-ethyl 2-((2-cyano-2-(4-(4-isobutylphenyl)thiazol-2-yl)vinyl)amino)benzoate?
The molecular formula of (E)-ethyl 2-((2-cyano-2-(4-(4-isobutylphenyl)thiazol-2-yl)vinyl)amino)benzoate is C25H25N3O2S.
What is the molecular weight of (E)-ethyl 2-((2-cyano-2-(4-(4-isobutylphenyl)thiazol-2-yl)vinyl)amino)benzoate?
The molecular weight of (E)-ethyl 2-((2-cyano-2-(4-(4-isobutylphenyl)thiazol-2-yl)vinyl)amino)benzoate is 431.17 g/mol.
Where can I buy (E)-ethyl 2-((2-cyano-2-(4-(4-isobutylphenyl)thiazol-2-yl)vinyl)amino)benzoate?
You can request a quote for (E)-ethyl 2-((2-cyano-2-(4-(4-isobutylphenyl)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 2-((2-cyano-2-(4-(4-isobutylphenyl)thiazol-2-yl)vinyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-((2-cyano-2-(4-(4-isobutylphenyl)thiazol-2-yl)vinyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.