![ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate structure](/static/products/333/333414-33-8.png)
ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate
TL;DR: ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate (CAS 333414-33-8) is a chemical compound with molecular formula C21H17N3O2S and molecular weight 375.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate
Also Known As: BAS 02590138, (Z)-ethyl 2-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)benzoate, 2-[2-Cyano-2-(4-phenyl-thiazol-2-yl)-vinylamino]-benzoic acid ethyl ester, ethyl 2-[[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate, ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate
| Molecular Formula | C21H17N3O2S |
|---|---|
| Molecular Weight | 375.10 g/mol |
| LogP | 4.96338 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.10416 |
| Heavy Atoms | 27 |
| Complexity | 1003.5211 |
Chemical Identifiers
| CAS Number | 333414-33-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1N/C=C(/C#N)\C2=NC(=CS2)C3=CC=CC=C3 |
Product Overview
ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate (CAS 333414-33-8), with molecular formula C21H17N3O2S and molecular weight 375.10 g/mol. IUPAC: ethyl 2-[[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate.
Chemical Property Profile of ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate
Property Insights of ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate
The XLogP value of 4.96338 indicates that ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]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 ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate. Following Lipinski's Rule of Five, ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate has 1 hydrogen bond donor(s) and 6 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 ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate?
The CAS number of ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate is 333414-33-8.
What is the molecular formula of ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate?
The molecular formula of ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate is C21H17N3O2S.
What is the molecular weight of ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate?
The molecular weight of ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate is 375.10 g/mol.
Where can I buy ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate?
You can request a quote for ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]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 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.