![ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate structure](/static/products/5560/556006-96-3.webp)
ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
TL;DR: ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate (CAS 556006-96-3) is a chemical compound with molecular formula C16H14ClN3O3S and molecular weight 363.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
Also Known As: ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate, ethyl 2-{2-[carbamoyl(cyano)methylidene]-3-(4-chlorophenyl)-2,3-dihydro-1,3-thiazol-4-yl}acetate
| Molecular Formula | C16H14ClN3O3S |
|---|---|
| Molecular Weight | 363.04 g/mol |
| LogP | 2.90828 |
| Topological Polar Surface Area | 96.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.04443 |
| Heavy Atoms | 24 |
| Complexity | 765.76746 |
Chemical Identifiers
| CAS Number | 556006-96-3 |
|---|---|
| SMILES | CCOC(=O)CC1=CS/C(=C(/C#N)\C(=O)N)/N1C2=CC=C(C=C2)Cl |
Product Overview
ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate (CAS 556006-96-3), with molecular formula C16H14ClN3O3S and molecular weight 363.04 g/mol. IUPAC: ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate.
Chemical Property Profile of ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
Property Insights of ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
The XLogP value of 2.90828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate. The TPSA of 96.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate. Following Lipinski's Rule of Five, ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate 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-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The CAS number of ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate is 556006-96-3.
What is the molecular formula of ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The molecular formula of ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate is C16H14ClN3O3S.
What is the molecular weight of ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The molecular weight of ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate is 363.04 g/mol.
Where can I buy ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate?
You can request a quote for ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.