1-(3-Methylbutanoyl)-4-(methylsulfonyl)piperazine
TL;DR: 1-(3-Methylbutanoyl)-4-(methylsulfonyl)piperazine (CAS 522650-60-8) is a chemical compound with molecular formula C10H20N2O3S and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
Also Known As: 1-(3-methylbutanoyl)-4-(methylsulfonyl)piperazine, BAS 04443328, 3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one, AT-057/43318428, 3-methyl-1-[4-(methylsulfonyl)piperazinyl]butan-1-one
| Molecular Formula | C10H20N2O3S |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 0.1363 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.11946 |
| Heavy Atoms | 16 |
| Complexity | 343.07565 |
Chemical Identifiers
| CAS Number | 522650-60-8 |
|---|---|
| SMILES | CC(C)CC(=O)N1CCN(CC1)S(=O)(=O)C |
Product Overview
1-(3-Methylbutanoyl)-4-(methylsulfonyl)piperazine (CAS 522650-60-8), with molecular formula C10H20N2O3S and molecular weight 248.12 g/mol. IUPAC: 3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one.
Chemical Property Profile of 1-(3-Methylbutanoyl)-4-(methylsulfonyl)piperazine
Property Insights of 1-(3-Methylbutanoyl)-4-(methylsulfonyl)piperazine
The XLogP value of 0.1363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methylbutanoyl)-4-(methylsulfonyl)piperazine. With a topological polar surface area (TPSA) of 57.69 Ų, 1-(3-Methylbutanoyl)-4-(methylsulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylbutanoyl)-4-(methylsulfonyl)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-Methylbutanoyl)-4-(methylsulfonyl)piperazine?
The CAS number of 1-(3-Methylbutanoyl)-4-(methylsulfonyl)piperazine is 522650-60-8.
What is the molecular formula of 1-(3-Methylbutanoyl)-4-(methylsulfonyl)piperazine?
The molecular formula of 1-(3-Methylbutanoyl)-4-(methylsulfonyl)piperazine is C10H20N2O3S.
What is the molecular weight of 1-(3-Methylbutanoyl)-4-(methylsulfonyl)piperazine?
The molecular weight of 1-(3-Methylbutanoyl)-4-(methylsulfonyl)piperazine is 248.12 g/mol.
Where can I buy 1-(3-Methylbutanoyl)-4-(methylsulfonyl)piperazine?
You can request a quote for 1-(3-Methylbutanoyl)-4-(methylsulfonyl)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-Methylbutanoyl)-4-(methylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylbutanoyl)-4-(methylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.