1-(4-Chlorobenzyl)-4-(ethylsulfonyl)piperazine
TL;DR: 1-(4-Chlorobenzyl)-4-(ethylsulfonyl)piperazine (CAS 428844-85-3) 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-[(4-chlorophenyl)methyl]-4-ethylsulfonylpiperazine
Also Known As: BAS 03152463, 1-(4-chlorobenzyl)-4-(ethylsulfonyl)piperazine, 1-(4-Chloro-benzyl)-4-ethanesulfonyl-piperazine, 1-[(4-chlorophenyl)methyl]-4-ethylsulfonylpiperazine, 4-[(4-chlorophenyl)methyl]-1-(ethylsulfonyl)piperazine
| Molecular Formula | C13H19ClN2O2S |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.08557 |
| Heavy Atoms | 19 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 428844-85-3 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)Cl |
| InChIKey | NAJQXKBOMUFBEE-UHFFFAOYSA-N |
Product Overview
1-(4-Chlorobenzyl)-4-(ethylsulfonyl)piperazine (CAS 428844-85-3), with molecular formula C13H19ClN2O2S and molecular weight 302.09 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-4-ethylsulfonylpiperazine.
Chemical Property Profile of 1-(4-Chlorobenzyl)-4-(ethylsulfonyl)piperazine
Property Insights of 1-(4-Chlorobenzyl)-4-(ethylsulfonyl)piperazine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorobenzyl)-4-(ethylsulfonyl)piperazine. With a topological polar surface area (TPSA) of 49.0 Ų, 1-(4-Chlorobenzyl)-4-(ethylsulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorobenzyl)-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-(4-Chlorobenzyl)-4-(ethylsulfonyl)piperazine?
The CAS number of 1-(4-Chlorobenzyl)-4-(ethylsulfonyl)piperazine is 428844-85-3.
What is the molecular formula of 1-(4-Chlorobenzyl)-4-(ethylsulfonyl)piperazine?
The molecular formula of 1-(4-Chlorobenzyl)-4-(ethylsulfonyl)piperazine is C13H19ClN2O2S.
What is the molecular weight of 1-(4-Chlorobenzyl)-4-(ethylsulfonyl)piperazine?
The molecular weight of 1-(4-Chlorobenzyl)-4-(ethylsulfonyl)piperazine is 302.09 g/mol.
Where can I buy 1-(4-Chlorobenzyl)-4-(ethylsulfonyl)piperazine?
You can request a quote for 1-(4-Chlorobenzyl)-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-(4-Chlorobenzyl)-4-(ethylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobenzyl)-4-(ethylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.