1-Benzyl-4-methanesulfonyl-piperazine
TL;DR: 1-Benzyl-4-methanesulfonyl-piperazine (CAS 118546-61-5) is a chemical compound with molecular formula C12H18N2O2S and molecular weight 254.1089 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-4-methylsulfonylpiperazine
Also Known As: 1-Benzyl-4-methanesulfonyl-piperazine, 1-benzyl-4-(methylsulfonyl)piperazine, 1-benzyl-4-methylsulfonylpiperazine, 1-benzyl-4-methanesulfonylpiperazine, 1-benzyl-4-mesylpiperazine
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18N2O2S |
| Molecular Weight | 254.1089 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 49.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.1089 Da |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
| SMILES | CS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2 |
| InChIKey | CKKQEWFEZNDPLJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzyl-4-methanesulfonyl-piperazine
Property Insights of 1-Benzyl-4-methanesulfonyl-piperazine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-4-methanesulfonyl-piperazine. With a topological polar surface area (TPSA) of 49.0 Ų, 1-Benzyl-4-methanesulfonyl-piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-methanesulfonyl-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
What is the CAS number of 1-Benzyl-4-methanesulfonyl-piperazine?
The CAS number of 1-Benzyl-4-methanesulfonyl-piperazine is 118546-61-5.
What is the molecular formula of 1-Benzyl-4-methanesulfonyl-piperazine?
The molecular formula of 1-Benzyl-4-methanesulfonyl-piperazine is C12H18N2O2S.
What is the molecular weight of 1-Benzyl-4-methanesulfonyl-piperazine?
The molecular weight of 1-Benzyl-4-methanesulfonyl-piperazine is 254.1089 g/mol.
Where can I buy 1-Benzyl-4-methanesulfonyl-piperazine?
You can request a quote for 1-Benzyl-4-methanesulfonyl-piperazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzyl-4-methanesulfonyl-piperazine?
Yes, CoreyChem provides custom synthesis services for 1-Benzyl-4-methanesulfonyl-piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.