2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
TL;DR: 2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CAS 333757-86-1) is a chemical compound with molecular formula C13H17ClN2O4S and molecular weight 332.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
Also Known As: BAS 03050133, BIM-0038394.P001, 2-(4-chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone, 2-(4-chlorophenoxy)-1-[4-(methylsulfonyl)piperazin-1-yl]ethanone, 2-(4-Chloro-phenoxy)-1-(4-methanesulfonyl-piperazin-1-yl)-ethanone
| Molecular Formula | C13H17ClN2O4S |
|---|---|
| Molecular Weight | 332.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.05975 |
| Heavy Atoms | 21 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 333757-86-1 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)C(=O)COC2=CC=C(C=C2)Cl |
| InChIKey | QTPFTCMVOWQMSF-UHFFFAOYSA-N |
Product Overview
2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CAS 333757-86-1), with molecular formula C13H17ClN2O4S and molecular weight 332.06 g/mol. IUPAC: 2-(4-chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
Chemical Property Profile of 2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
Property Insights of 2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone has 0 hydrogen bond donor(s) and 5 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 2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The CAS number of 2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone is 333757-86-1.
What is the molecular formula of 2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The molecular formula of 2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone is C13H17ClN2O4S.
What is the molecular weight of 2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The molecular weight of 2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone is 332.06 g/mol.
Where can I buy 2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
You can request a quote for 2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.