1-(4-Benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one
TL;DR: 1-(4-Benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one (CAS 519005-82-4) is a chemical compound with molecular formula C16H24N2O3S and molecular weight 324.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one
Also Known As: BAS 03152888, 1-(4-benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one, 1-[4-(benzylsulfonyl)piperazin-1-yl]-3-methylbutan-1-one, 3-methyl-1-{4-[benzylsulfonyl]piperazinyl}butan-1-one, 1-[4-(BENZYLSULFONYL)PIPERAZINO]-3-METHYL-1-BUTANONE
| Molecular Formula | C16H24N2O3S |
|---|---|
| Molecular Weight | 324.15 g/mol |
| LogP | 1.7067 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.15076 |
| Heavy Atoms | 22 |
| Complexity | 591.0767 |
Chemical Identifiers
| CAS Number | 519005-82-4 |
|---|---|
| SMILES | CC(C)CC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2 |
Product Overview
1-(4-Benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one (CAS 519005-82-4), with molecular formula C16H24N2O3S and molecular weight 324.15 g/mol. IUPAC: 1-(4-benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one.
Chemical Property Profile of 1-(4-Benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one
Property Insights of 1-(4-Benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one
The XLogP value of 1.7067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one. With a topological polar surface area (TPSA) of 57.69 Ų, 1-(4-Benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one 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-(4-Benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one?
The CAS number of 1-(4-Benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one is 519005-82-4.
What is the molecular formula of 1-(4-Benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one?
The molecular formula of 1-(4-Benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one is C16H24N2O3S.
What is the molecular weight of 1-(4-Benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one?
The molecular weight of 1-(4-Benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one is 324.15 g/mol.
Where can I buy 1-(4-Benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one?
You can request a quote for 1-(4-Benzylsulfonylpiperazin-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-Benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Benzylsulfonylpiperazin-1-yl)-3-methylbutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.