(E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)piperazine-1-carboxylate
TL;DR: (E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)piperazine-1-carboxylate (CAS 885185-58-0) is a chemical compound with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]piperazine-1-carboxylate
Also Known As: VU0605238-1, (E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)piperazine-1-carboxylate, ETHYL 4-[(1E)-2-(BENZENESULFONYL)-2-CYANOETH-1-EN-1-YL]PIPERAZINE-1-CARBOXYLATE, ethyl 4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]piperazine-1-carboxylate, ethyl 4-[(E)-2-cyano-2-(phenylsulfonyl)ethenyl]piperazine-1-carboxylate
| Molecular Formula | C16H19N3O4S |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 1.59938 |
| Topological Polar Surface Area | 90.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.10962 |
| Heavy Atoms | 24 |
| Complexity | 745.2772 |
Chemical Identifiers
| CAS Number | 885185-58-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2 |
Product Overview
(E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)piperazine-1-carboxylate (CAS 885185-58-0), with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol. IUPAC: ethyl 4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]piperazine-1-carboxylate.
Chemical Property Profile of (E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)piperazine-1-carboxylate
Property Insights of (E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)piperazine-1-carboxylate
The XLogP value of 1.59938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)piperazine-1-carboxylate. The TPSA of 90.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)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 (E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)piperazine-1-carboxylate?
The CAS number of (E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)piperazine-1-carboxylate is 885185-58-0.
What is the molecular formula of (E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)piperazine-1-carboxylate?
The molecular formula of (E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)piperazine-1-carboxylate is C16H19N3O4S.
What is the molecular weight of (E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)piperazine-1-carboxylate?
The molecular weight of (E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)piperazine-1-carboxylate is 349.11 g/mol.
Where can I buy (E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)piperazine-1-carboxylate?
You can request a quote for (E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)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 (E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-(2-cyano-2-(phenylsulfonyl)vinyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.