1-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine
TL;DR: 1-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine (CAS 827591-75-3) is a chemical compound with molecular formula C12H16Cl2N2O2S and molecular weight 322.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,4-dichlorophenyl)methyl]-4-methylsulfonylpiperazine
Also Known As: 1-(2,4-dichlorobenzyl)-4-(methylsulfonyl)piperazine, 1-[(2,4-dichlorophenyl)methyl]-4-methylsulfonylpiperazine, 1-[(2,4-dichlorophenyl)methyl]-4-methylsulfonyl-piperazine, 4-[(2,4-dichlorophenyl)methyl]-1-(methylsulfonyl)piperazine
| Molecular Formula | C12H16Cl2N2O2S |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 2.0706 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.03094 |
| Heavy Atoms | 19 |
| Complexity | 554.84784 |
Chemical Identifiers
| CAS Number | 827591-75-3 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)CC2=C(C=C(C=C2)Cl)Cl |
Product Overview
1-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine (CAS 827591-75-3), with molecular formula C12H16Cl2N2O2S and molecular weight 322.03 g/mol. IUPAC: 1-[(2,4-dichlorophenyl)methyl]-4-methylsulfonylpiperazine.
Chemical Property Profile of 1-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine
Property Insights of 1-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine
The XLogP value of 2.0706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine. With a topological polar surface area (TPSA) of 40.62 Ų, 1-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine has 0 hydrogen bond donor(s) and 3 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-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine?
The CAS number of 1-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine is 827591-75-3.
What is the molecular formula of 1-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine?
The molecular formula of 1-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine is C12H16Cl2N2O2S.
What is the molecular weight of 1-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine?
The molecular weight of 1-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine is 322.03 g/mol.
Where can I buy 1-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine?
You can request a quote for 1-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dichlorobenzyl)-4-(methylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.