1-(3-Chlorobenzyl)-4-(ethylsulfonyl)piperazine
TL;DR: 1-(3-Chlorobenzyl)-4-(ethylsulfonyl)piperazine (CAS 428847-74-9) 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-[(3-chlorophenyl)methyl]-4-ethylsulfonylpiperazine
Also Known As: BAS 03152462, 1-(3-chlorobenzyl)-4-(ethylsulfonyl)piperazine, 1-(3-Chloro-benzyl)-4-ethanesulfonyl-piperazine, 1-[(3-chlorophenyl)methyl]-4-ethylsulfonylpiperazine, 1-[(3-chlorophenyl)methyl]-4-(ethanesulfonyl)piperazine
| Molecular Formula | C13H19ClN2O2S |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 1.8073 |
| 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 | 525.1997 |
Chemical Identifiers
| CAS Number | 428847-74-9 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)CC2=CC(=CC=C2)Cl |
Product Overview
1-(3-Chlorobenzyl)-4-(ethylsulfonyl)piperazine (CAS 428847-74-9), with molecular formula C13H19ClN2O2S and molecular weight 302.09 g/mol. IUPAC: 1-[(3-chlorophenyl)methyl]-4-ethylsulfonylpiperazine.
Chemical Property Profile of 1-(3-Chlorobenzyl)-4-(ethylsulfonyl)piperazine
Property Insights of 1-(3-Chlorobenzyl)-4-(ethylsulfonyl)piperazine
The XLogP value of 1.8073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorobenzyl)-4-(ethylsulfonyl)piperazine. With a topological polar surface area (TPSA) of 40.62 Ų, 1-(3-Chlorobenzyl)-4-(ethylsulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorobenzyl)-4-(ethylsulfonyl)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-(3-Chlorobenzyl)-4-(ethylsulfonyl)piperazine?
The CAS number of 1-(3-Chlorobenzyl)-4-(ethylsulfonyl)piperazine is 428847-74-9.
What is the molecular formula of 1-(3-Chlorobenzyl)-4-(ethylsulfonyl)piperazine?
The molecular formula of 1-(3-Chlorobenzyl)-4-(ethylsulfonyl)piperazine is C13H19ClN2O2S.
What is the molecular weight of 1-(3-Chlorobenzyl)-4-(ethylsulfonyl)piperazine?
The molecular weight of 1-(3-Chlorobenzyl)-4-(ethylsulfonyl)piperazine is 302.09 g/mol.
Where can I buy 1-(3-Chlorobenzyl)-4-(ethylsulfonyl)piperazine?
You can request a quote for 1-(3-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-(3-Chlorobenzyl)-4-(ethylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorobenzyl)-4-(ethylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.