1-Benzyl-4-(benzylsulfonyl)piperazine
TL;DR: 1-Benzyl-4-(benzylsulfonyl)piperazine (CAS 331847-63-3) is a chemical compound with molecular formula C18H22N2O2S and molecular weight 330.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-benzylsulfonylpiperazine
Also Known As: 1-benzyl-4-(benzylsulfonyl)piperazine, 1-benzyl-4-benzylsulfonylpiperazine, 1-BENZYL-4-PHENYLMETHANESULFONYLPIPERAZINE, 1-benzyl-4-[benzylsulfonyl]piperazine, UPCMLD0ENAT5810955:001
| Molecular Formula | C18H22N2O2S |
|---|---|
| Molecular Weight | 330.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.1402 |
| Heavy Atoms | 23 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 331847-63-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3 |
| InChIKey | DYCHURWTNOAGFJ-UHFFFAOYSA-N |
Product Overview
1-Benzyl-4-(benzylsulfonyl)piperazine (CAS 331847-63-3), with molecular formula C18H22N2O2S and molecular weight 330.14 g/mol. IUPAC: 1-benzyl-4-benzylsulfonylpiperazine.
Chemical Property Profile of 1-Benzyl-4-(benzylsulfonyl)piperazine
Property Insights of 1-Benzyl-4-(benzylsulfonyl)piperazine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-4-(benzylsulfonyl)piperazine. With a topological polar surface area (TPSA) of 49.0 Ų, 1-Benzyl-4-(benzylsulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-(benzylsulfonyl)piperazine 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 1-Benzyl-4-(benzylsulfonyl)piperazine?
The CAS number of 1-Benzyl-4-(benzylsulfonyl)piperazine is 331847-63-3.
What is the molecular formula of 1-Benzyl-4-(benzylsulfonyl)piperazine?
The molecular formula of 1-Benzyl-4-(benzylsulfonyl)piperazine is C18H22N2O2S.
What is the molecular weight of 1-Benzyl-4-(benzylsulfonyl)piperazine?
The molecular weight of 1-Benzyl-4-(benzylsulfonyl)piperazine is 330.14 g/mol.
Where can I buy 1-Benzyl-4-(benzylsulfonyl)piperazine?
You can request a quote for 1-Benzyl-4-(benzylsulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4-(benzylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-(benzylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.