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Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate
TL;DR: Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate (CAS 16017-52-0) is a chemical compound with molecular formula C13H17ClN2O4S and molecular weight 332.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)sulfonylpiperazine-1-carboxylate
Also Known As: BAS 01932732, Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate, ethyl 4-(4-chlorophenyl)sulfonylpiperazine-1-carboxylate, ethyl 4-((4-chlorophenyl)sulfonyl)piperazine-1-carboxylate, 1-(4-Chlorbenzolsulfonyl)-4-ethoxycarbonyl-piperazin
| Molecular Formula | C13H17ClN2O4S |
|---|---|
| Molecular Weight | 332.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.05975 |
| Heavy Atoms | 21 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 16017-52-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | NRTBMOKCKFTCAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate (CAS 16017-52-0), with molecular formula C13H17ClN2O4S and molecular weight 332.06 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate
Property Insights of Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate 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-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate?
The CAS number of Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate is 16017-52-0.
What is the molecular formula of Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate?
The molecular formula of Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate is C13H17ClN2O4S.
What is the molecular weight of Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate?
The molecular weight of Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate is 332.06 g/mol.
Where can I buy Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate?
You can request a quote for Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate 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-chlorophenyl)sulfonyl]-1-piperazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.