![ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate structure](/static/products/799/799770-19-7.png)
ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate
TL;DR: ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate (CAS 799770-19-7) is a chemical compound with molecular formula C23H21N3O3S and molecular weight 419.13 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-ethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate
Also Known As: ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate, (E)-ethyl 2-((2-cyano-2-(4-(4-ethoxyphenyl)thiazol-2-yl)vinyl)amino)benzoate, ethyl 2-({(E)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate, ethyl 2-[[(E)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate
| Molecular Formula | C23H21N3O3S |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 5.36208 |
| Topological Polar Surface Area | 84.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.13037 |
| Heavy Atoms | 30 |
| Complexity | 1081.5729 |
Chemical Identifiers
| CAS Number | 799770-19-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC=CC=C3C(=O)OCC)/C#N |
Product Overview
ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate (CAS 799770-19-7), with molecular formula C23H21N3O3S and molecular weight 419.13 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate.
Chemical Property Profile of ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate
Property Insights of ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate
The XLogP value of 5.36208 indicates that ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.24 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate. Following Lipinski's Rule of Five, ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate?
The CAS number of ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate is 799770-19-7.
What is the molecular formula of ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate?
The molecular formula of ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate is C23H21N3O3S.
What is the molecular weight of ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate?
The molecular weight of ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate is 419.13 g/mol.
Where can I buy ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate?
You can request a quote for ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]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-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(1Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.