Tert-butyl 4-(phenylsulfonyl)piperazine-1-carboxylate
TL;DR: Tert-butyl 4-(phenylsulfonyl)piperazine-1-carboxylate (CAS 253175-69-8) is a chemical compound with molecular formula C15H22N2O4S and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(benzenesulfonyl)piperazine-1-carboxylate
Also Known As: tert-butyl 4-(phenylsulfonyl)piperazine-1-carboxylate, Tert-butyl 4-(benzenesulfonyl)piperazine-1-carboxylate, J3.493.409F, 4-tert-Butoxycarbonylpiperazino(phenyl) sulfone, 4-Benzenesulfonyl-piperazine-1-carboxylic acid tert-butyl ester
| Molecular Formula | C15H22N2O4S |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 1.928 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.13004 |
| Heavy Atoms | 22 |
| Complexity | 614.69257 |
Chemical Identifiers
| CAS Number | 253175-69-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
Tert-butyl 4-(phenylsulfonyl)piperazine-1-carboxylate (CAS 253175-69-8), with molecular formula C15H22N2O4S and molecular weight 326.13 g/mol. IUPAC: tert-butyl 4-(benzenesulfonyl)piperazine-1-carboxylate.
Chemical Property Profile of Tert-butyl 4-(phenylsulfonyl)piperazine-1-carboxylate
Property Insights of Tert-butyl 4-(phenylsulfonyl)piperazine-1-carboxylate
The XLogP value of 1.928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 4-(phenylsulfonyl)piperazine-1-carboxylate. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 4-(phenylsulfonyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Tert-butyl 4-(phenylsulfonyl)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-(phenylsulfonyl)piperazine-1-carboxylate?
The CAS number of Tert-butyl 4-(phenylsulfonyl)piperazine-1-carboxylate is 253175-69-8.
What is the molecular formula of Tert-butyl 4-(phenylsulfonyl)piperazine-1-carboxylate?
The molecular formula of Tert-butyl 4-(phenylsulfonyl)piperazine-1-carboxylate is C15H22N2O4S.
What is the molecular weight of Tert-butyl 4-(phenylsulfonyl)piperazine-1-carboxylate?
The molecular weight of Tert-butyl 4-(phenylsulfonyl)piperazine-1-carboxylate is 326.13 g/mol.
Where can I buy Tert-butyl 4-(phenylsulfonyl)piperazine-1-carboxylate?
You can request a quote for Tert-butyl 4-(phenylsulfonyl)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-(phenylsulfonyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-(phenylsulfonyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.