1-Tosylpiperidin-4-one
TL;DR: 1-Tosylpiperidin-4-one (CAS 33439-27-9) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfonylpiperidin-4-one
Also Known As: 1-Tosylpiperidin-4-one, 1-Tosyl-4-piperidinone, N-tosylpiperid-4-one, 1-Tosyl-4-piperidone, 1-tosyl-piperidin-4-one
| Molecular Formula | C12H15NO3S |
|---|---|
| Molecular Weight | 253.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.07727 |
| Heavy Atoms | 17 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 33439-27-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)CC2 |
| InChIKey | PCEBUFJFSAZGNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Tosylpiperidin-4-one (CAS 33439-27-9), with molecular formula C12H15NO3S and molecular weight 253.08 g/mol. IUPAC: 1-(4-methylphenyl)sulfonylpiperidin-4-one.
Chemical Property Profile of 1-Tosylpiperidin-4-one
Property Insights of 1-Tosylpiperidin-4-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tosylpiperidin-4-one. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Tosylpiperidin-4-one. Following Lipinski's Rule of Five, 1-Tosylpiperidin-4-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-Tosylpiperidin-4-one?
The CAS number of 1-Tosylpiperidin-4-one is 33439-27-9.
What is the molecular formula of 1-Tosylpiperidin-4-one?
The molecular formula of 1-Tosylpiperidin-4-one is C12H15NO3S.
What is the molecular weight of 1-Tosylpiperidin-4-one?
The molecular weight of 1-Tosylpiperidin-4-one is 253.08 g/mol.
Where can I buy 1-Tosylpiperidin-4-one?
You can request a quote for 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 1-Tosylpiperidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Tosylpiperidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.