![4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine structure](/static/products/6136/613657-79-7.webp)
4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine
TL;DR: 4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine (CAS 613657-79-7) is a chemical compound with molecular formula C13H16F3NO2S and molecular weight 307.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
Also Known As: 4-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine, 4-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine, AO-854/41286943
| Molecular Formula | C13H16F3NO2S |
|---|---|
| Molecular Weight | 307.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.0854 |
| Heavy Atoms | 20 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 613657-79-7 |
|---|---|
| SMILES | CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F |
| InChIKey | DVFNQADHZDGHBW-UHFFFAOYSA-N |
Product Overview
4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine (CAS 613657-79-7), with molecular formula C13H16F3NO2S and molecular weight 307.09 g/mol. IUPAC: 4-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.
Chemical Property Profile of 4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine
Property Insights of 4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine
The XLogP value of 3.2 indicates that 4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine has 0 hydrogen bond donor(s) and 6 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 4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine?
The CAS number of 4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine is 613657-79-7.
What is the molecular formula of 4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine?
The molecular formula of 4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine is C13H16F3NO2S.
What is the molecular weight of 4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine?
The molecular weight of 4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine is 307.09 g/mol.
Where can I buy 4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine?
You can request a quote for 4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.