3-Methyl-1-tosylpiperidin-4-one
TL;DR: 3-Methyl-1-tosylpiperidin-4-one (CAS 13729-79-8) is a chemical compound with molecular formula C13H17NO3S and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-one
Also Known As: 3-Methyl-1-tosylpiperidin-4-one, ZERO/003363, BIM-0006873.P001, 3-methyl-1-(4-methylbenzenesulfonyl)piperidin-4-one, 3-methyl-1-(p-tolylsulfonyl)piperidin-4-one
| Molecular Formula | C13H17NO3S |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 1.59462 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.09293 |
| Heavy Atoms | 18 |
| Complexity | 548.104 |
Chemical Identifiers
| CAS Number | 13729-79-8 |
|---|---|
| SMILES | CC1CN(CCC1=O)S(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
3-Methyl-1-tosylpiperidin-4-one (CAS 13729-79-8), with molecular formula C13H17NO3S and molecular weight 267.09 g/mol. IUPAC: 3-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-one.
Chemical Property Profile of 3-Methyl-1-tosylpiperidin-4-one
Property Insights of 3-Methyl-1-tosylpiperidin-4-one
The XLogP value of 1.59462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-tosylpiperidin-4-one. With a topological polar surface area (TPSA) of 54.45 Ų, 3-Methyl-1-tosylpiperidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-tosylpiperidin-4-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 3-Methyl-1-tosylpiperidin-4-one?
The CAS number of 3-Methyl-1-tosylpiperidin-4-one is 13729-79-8.
What is the molecular formula of 3-Methyl-1-tosylpiperidin-4-one?
The molecular formula of 3-Methyl-1-tosylpiperidin-4-one is C13H17NO3S.
What is the molecular weight of 3-Methyl-1-tosylpiperidin-4-one?
The molecular weight of 3-Methyl-1-tosylpiperidin-4-one is 267.09 g/mol.
Where can I buy 3-Methyl-1-tosylpiperidin-4-one?
You can request a quote for 3-Methyl-1-tosylpiperidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-tosylpiperidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-tosylpiperidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.