Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperazine-1-carboxylate
TL;DR: Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperazine-1-carboxylate (CAS 194853-66-2) is a chemical compound with molecular formula C15H21FN2O4S and molecular weight 344.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(4-fluorophenyl)sulfonylpiperazine-1-carboxylate
Also Known As: tert-butyl 4-((4-fluorophenyl)sulfonyl)piperazine-1-carboxylate, tert-Butyl 4-[(4-fluorobenzene)sulfonyl]piperazine-1-carboxylate, UPCMLD0ENAT5834253:001, Tert-butyl 4-(4-fluorophenyl)sulfonylpiperazine-1-carboxylate, 1-Boc-4-[(4-fluorobenzene)sulfonyl]piperazine
| Molecular Formula | C15H21FN2O4S |
|---|---|
| Molecular Weight | 344.12 g/mol |
| LogP | 2.0671 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.1206 |
| Heavy Atoms | 23 |
| Complexity | 659.71246 |
Chemical Identifiers
| CAS Number | 194853-66-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F |
Product Overview
Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperazine-1-carboxylate (CAS 194853-66-2), with molecular formula C15H21FN2O4S and molecular weight 344.12 g/mol. IUPAC: tert-butyl 4-(4-fluorophenyl)sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperazine-1-carboxylate
Property Insights of Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperazine-1-carboxylate
The XLogP value of 2.0671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperazine-1-carboxylate. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Tert-butyl 4-((4-fluorophenyl)sulfonyl)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 Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperazine-1-carboxylate?
The CAS number of Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperazine-1-carboxylate is 194853-66-2.
What is the molecular formula of Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperazine-1-carboxylate?
The molecular formula of Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperazine-1-carboxylate is C15H21FN2O4S.
What is the molecular weight of Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperazine-1-carboxylate?
The molecular weight of Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperazine-1-carboxylate is 344.12 g/mol.
Where can I buy Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperazine-1-carboxylate?
You can request a quote for Tert-butyl 4-((4-fluorophenyl)sulfonyl)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 Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-((4-fluorophenyl)sulfonyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.