1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one
TL;DR: 1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one (CAS 428827-41-2) is a chemical compound with molecular formula C11H22N2O3S and molecular weight 262.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one
Also Known As: BAS 03152924, 1-(4-ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one, 1-(ethylsulfonyl)-4-(3-methylbutanoyl)piperazine, 1-[4-(ethylsulfonyl)piperazin-1-yl]-3-methylbutan-1-one, 1-[4-(ethylsulfonyl)piperazinyl]-3-methylbutan-1-one
| Molecular Formula | C11H22N2O3S |
|---|---|
| Molecular Weight | 262.14 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.1351 |
| Heavy Atoms | 17 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 428827-41-2 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)C(=O)CC(C)C |
| InChIKey | MGLJJZGMTHSNIG-UHFFFAOYSA-N |
Product Overview
1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one (CAS 428827-41-2), with molecular formula C11H22N2O3S and molecular weight 262.14 g/mol. IUPAC: 1-(4-ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one.
Chemical Property Profile of 1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one
Property Insights of 1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one. Following Lipinski's Rule of Five, 1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one 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-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one?
The CAS number of 1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one is 428827-41-2.
What is the molecular formula of 1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one?
The molecular formula of 1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one is C11H22N2O3S.
What is the molecular weight of 1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one?
The molecular weight of 1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one is 262.14 g/mol.
Where can I buy 1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one?
You can request a quote for 1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.