1-(4-Bromo-3-methylphenylsulfonyl)piperidine
TL;DR: 1-(4-Bromo-3-methylphenylsulfonyl)piperidine (CAS 332913-57-2) is a chemical compound with molecular formula C12H16BrNO2S and molecular weight 317.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromo-3-methylphenyl)sulfonylpiperidine
Also Known As: 1-(4-Bromo-3-methylphenylsulfonyl)piperidine, 1-((4-Bromo-3-methylphenyl)sulfonyl)piperidine, 2-Bromo-5-(piperidinosulfonyl)toluene, 1-(4-bromo-3-methylphenyl)sulfonylpiperidine, 1-(4-bromo-3-methyl-phenyl)sulfonylpiperidine
| Molecular Formula | C12H16BrNO2S |
|---|---|
| Molecular Weight | 317.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.0085 |
| Heavy Atoms | 17 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 332913-57-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Br |
| InChIKey | GKCILCLYIZSIPJ-UHFFFAOYSA-N |
Product Overview
1-(4-Bromo-3-methylphenylsulfonyl)piperidine (CAS 332913-57-2), with molecular formula C12H16BrNO2S and molecular weight 317.01 g/mol. IUPAC: 1-(4-bromo-3-methylphenyl)sulfonylpiperidine.
Chemical Property Profile of 1-(4-Bromo-3-methylphenylsulfonyl)piperidine
Property Insights of 1-(4-Bromo-3-methylphenylsulfonyl)piperidine
The XLogP value of 3.0 indicates that 1-(4-Bromo-3-methylphenylsulfonyl)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, 1-(4-Bromo-3-methylphenylsulfonyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromo-3-methylphenylsulfonyl)piperidine 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-Bromo-3-methylphenylsulfonyl)piperidine?
The CAS number of 1-(4-Bromo-3-methylphenylsulfonyl)piperidine is 332913-57-2.
What is the molecular formula of 1-(4-Bromo-3-methylphenylsulfonyl)piperidine?
The molecular formula of 1-(4-Bromo-3-methylphenylsulfonyl)piperidine is C12H16BrNO2S.
What is the molecular weight of 1-(4-Bromo-3-methylphenylsulfonyl)piperidine?
The molecular weight of 1-(4-Bromo-3-methylphenylsulfonyl)piperidine is 317.01 g/mol.
Where can I buy 1-(4-Bromo-3-methylphenylsulfonyl)piperidine?
You can request a quote for 1-(4-Bromo-3-methylphenylsulfonyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromo-3-methylphenylsulfonyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromo-3-methylphenylsulfonyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.