Ethyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate
TL;DR: Ethyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate (CAS 349404-87-1) is a chemical compound with molecular formula C13H17BrN2O4S and molecular weight 376.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-bromophenyl)sulfonylpiperazine-1-carboxylate
Also Known As: BAS 01932733, ethyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate, ethyl 4-(4-bromophenyl)sulfonylpiperazine-1-carboxylate, 4-(4-Bromo-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester, ethyl 4-[(4-bromophenyl)sulfonyl]piperazinecarboxylate
| Molecular Formula | C13H17BrN2O4S |
|---|---|
| Molecular Weight | 376.01 g/mol |
| LogP | 1.9119 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.00925 |
| Heavy Atoms | 21 |
| Complexity | 595.10223 |
Chemical Identifiers
| CAS Number | 349404-87-1 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br |
Product Overview
Ethyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate (CAS 349404-87-1), with molecular formula C13H17BrN2O4S and molecular weight 376.01 g/mol. IUPAC: ethyl 4-(4-bromophenyl)sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate
Property Insights of Ethyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate
The XLogP value of 1.9119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 4 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-(4-bromobenzenesulfonyl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate is 349404-87-1.
What is the molecular formula of Ethyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate is C13H17BrN2O4S.
What is the molecular weight of Ethyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate is 376.01 g/mol.
Where can I buy Ethyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-(4-bromobenzenesulfonyl)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-(4-bromobenzenesulfonyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.