![ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate structure](/static/products/1164/1164514-71-9.webp)
ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate
TL;DR: ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate (CAS 1164514-71-9) is a chemical compound with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate
Also Known As: VU0227577-5, ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate, (E)-ethyl 4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)piperazine-1-carboxylate, ethyl 4-((1E)-2-benzothiazol-2-yl-2-cyanovinyl)piperazinecarboxylate, ETHYL 4-[(1E)-2-(1,3-BENZOTHIAZOL-2-YL)-2-CYANOETH-1-EN-1-YL]PIPERAZINE-1-CARBOXYLATE
| Molecular Formula | C17H18N4O2S |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.11505 |
| Heavy Atoms | 24 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 1164514-71-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2 |
| InChIKey | HPCLOUIAKIKVOC-OUKQBFOZSA-N |
Product Overview
ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate (CAS 1164514-71-9), with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol. IUPAC: ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate
Property Insights of ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate has 0 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 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate?
The CAS number of ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate is 1164514-71-9.
What is the molecular formula of ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate?
The molecular formula of ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate is C17H18N4O2S.
What is the molecular weight of ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate?
The molecular weight of ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate is 342.12 g/mol.
Where can I buy ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate?
You can request a quote for ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.