1-Benzyl-4-(ethylsulfonyl)piperazine
TL;DR: 1-Benzyl-4-(ethylsulfonyl)piperazine (CAS 441745-68-2) is a chemical compound with molecular formula C13H20N2O2S and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-ethylsulfonylpiperazine
Also Known As: 1-benzyl-4-ethylsulfonylpiperazine, 1-benzyl-4-(ethylsulfonyl)piperazine, 1-Benzyl-4-ethanesulfonyl-piperazine, 1-(ethylsulfonyl)-4-benzylpiperazine, BAS 03152457
| Molecular Formula | C13H20N2O2S |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.12454 |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 441745-68-2 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2 |
| InChIKey | YXOPOCKDPBGDMH-UHFFFAOYSA-N |
Product Overview
1-Benzyl-4-(ethylsulfonyl)piperazine (CAS 441745-68-2), with molecular formula C13H20N2O2S and molecular weight 268.12 g/mol. IUPAC: 1-benzyl-4-ethylsulfonylpiperazine.
Chemical Property Profile of 1-Benzyl-4-(ethylsulfonyl)piperazine
Property Insights of 1-Benzyl-4-(ethylsulfonyl)piperazine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-4-(ethylsulfonyl)piperazine. With a topological polar surface area (TPSA) of 49.0 Ų, 1-Benzyl-4-(ethylsulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-(ethylsulfonyl)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-(ethylsulfonyl)piperazine?
The CAS number of 1-Benzyl-4-(ethylsulfonyl)piperazine is 441745-68-2.
What is the molecular formula of 1-Benzyl-4-(ethylsulfonyl)piperazine?
The molecular formula of 1-Benzyl-4-(ethylsulfonyl)piperazine is C13H20N2O2S.
What is the molecular weight of 1-Benzyl-4-(ethylsulfonyl)piperazine?
The molecular weight of 1-Benzyl-4-(ethylsulfonyl)piperazine is 268.12 g/mol.
Where can I buy 1-Benzyl-4-(ethylsulfonyl)piperazine?
You can request a quote for 1-Benzyl-4-(ethylsulfonyl)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-(ethylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-(ethylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.