Ethyl 4-(2-phenylethenesulfonyl)piperazine-1-carboxylate
TL;DR: Ethyl 4-(2-phenylethenesulfonyl)piperazine-1-carboxylate (CAS 1164523-11-8) is a chemical compound with molecular formula C15H20N2O4S and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carboxylate
Also Known As: IDI1_010177, ethyl 4-(2-phenylethenesulfonyl)piperazine-1-carboxylate, (E)-ethyl 4-(styrylsulfonyl)piperazine-1-carboxylate, Ethyl (E)-4-(styrylsulfonyl)piperazine-1-carboxylate, ethyl 4-[(2-phenylvinyl)sulfonyl]-1-piperazinecarboxylate
| Molecular Formula | C15H20N2O4S |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.11438 |
| Heavy Atoms | 22 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 1164523-11-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2 |
| InChIKey | QXAWBTFJHOLOBH-MDWZMJQESA-N |
Product Overview
Ethyl 4-(2-phenylethenesulfonyl)piperazine-1-carboxylate (CAS 1164523-11-8), with molecular formula C15H20N2O4S and molecular weight 324.11 g/mol. IUPAC: ethyl 4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(2-phenylethenesulfonyl)piperazine-1-carboxylate
Property Insights of Ethyl 4-(2-phenylethenesulfonyl)piperazine-1-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-phenylethenesulfonyl)piperazine-1-carboxylate. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-phenylethenesulfonyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(2-phenylethenesulfonyl)piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 5 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-(2-phenylethenesulfonyl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-(2-phenylethenesulfonyl)piperazine-1-carboxylate is 1164523-11-8.
What is the molecular formula of Ethyl 4-(2-phenylethenesulfonyl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-(2-phenylethenesulfonyl)piperazine-1-carboxylate is C15H20N2O4S.
What is the molecular weight of Ethyl 4-(2-phenylethenesulfonyl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-(2-phenylethenesulfonyl)piperazine-1-carboxylate is 324.11 g/mol.
Where can I buy Ethyl 4-(2-phenylethenesulfonyl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-(2-phenylethenesulfonyl)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-(2-phenylethenesulfonyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-phenylethenesulfonyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.