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Ethyl 4-{[4-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate
TL;DR: Ethyl 4-{[4-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate (CAS 799258-85-8) is a chemical compound with molecular formula C16H24N2O4S and molecular weight 340.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carboxylate
Also Known As: BAS 06731838, ethyl 4-{[4-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate, ethyl 4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carboxylate, 4-(4-Isopropyl-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester
| Molecular Formula | C16H24N2O4S |
|---|---|
| Molecular Weight | 340.15 g/mol |
| LogP | 2.2728 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.1457 |
| Heavy Atoms | 23 |
| Complexity | 632.549 |
Chemical Identifiers
| CAS Number | 799258-85-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)C |
Product Overview
Ethyl 4-{[4-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate (CAS 799258-85-8), with molecular formula C16H24N2O4S and molecular weight 340.15 g/mol. IUPAC: ethyl 4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-{[4-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate
Property Insights of Ethyl 4-{[4-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate
The XLogP value of 2.2728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[4-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[4-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-{[4-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate 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-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate?
The CAS number of Ethyl 4-{[4-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate is 799258-85-8.
What is the molecular formula of Ethyl 4-{[4-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate?
The molecular formula of Ethyl 4-{[4-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate is C16H24N2O4S.
What is the molecular weight of Ethyl 4-{[4-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate?
The molecular weight of Ethyl 4-{[4-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate is 340.15 g/mol.
Where can I buy Ethyl 4-{[4-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate?
You can request a quote for Ethyl 4-{[4-(methylethyl)phenyl]sulfonyl}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-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[4-(methylethyl)phenyl]sulfonyl}piperazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.