![1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane structure](/static/products/537/53727-44-9.png)
1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane
TL;DR: 1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane (CAS 53727-44-9) is a chemical compound with molecular formula C13H19ClN2O2S and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-4-(4-methylphenyl)sulfonylpiperazine
Also Known As: 1-Tosyl-4-(2-chloroethyl)piperazine, J3.520.267F, N-beta-chloroethyl-N'-p-toluenesulfonylpiperazine, piperazine,1-(2-chloroethyl)-4-[(4-methylphenyl)sulfonyl]-, 1-(2-chloroethyl)-4-(4-methylphenyl)sulfonyl-piperazine
| Molecular Formula | C13H19ClN2O2S |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 1.54012 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.08557 |
| Heavy Atoms | 19 |
| Complexity | 507.94968 |
Chemical Identifiers
| CAS Number | 53727-44-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCCl |
Product Overview
1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane (CAS 53727-44-9), with molecular formula C13H19ClN2O2S and molecular weight 302.09 g/mol. IUPAC: 1-(2-chloroethyl)-4-(4-methylphenyl)sulfonylpiperazine.
Chemical Property Profile of 1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane
Property Insights of 1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane
The XLogP value of 1.54012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane. With a topological polar surface area (TPSA) of 40.62 Ų, 1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane 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-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane?
The CAS number of 1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane is 53727-44-9.
What is the molecular formula of 1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane?
The molecular formula of 1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane is C13H19ClN2O2S.
What is the molecular weight of 1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane?
The molecular weight of 1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane is 302.09 g/mol.
Where can I buy 1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane?
You can request a quote for 1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-[4-(4-methylphenylsulfonyl)piperazin-1-yl]ethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.