1-(4-Bromo-3-methylphenyl)sulfonyl-4-methylpiperidine
TL;DR: 1-(4-Bromo-3-methylphenyl)sulfonyl-4-methylpiperidine (CAS 459186-77-7) is a chemical compound with molecular formula C13H18BrNO2S and molecular weight 331.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromo-3-methylphenyl)sulfonyl-4-methylpiperidine
Also Known As: 1-(4-bromo-3-methylphenyl)sulfonyl-4-methylpiperidine, 1-(4-bromo-3-methylbenzenesulfonyl)-4-methylpiperidine, AP-263/14196361, 1-[(4-bromo-3-methylphenyl)sulfonyl]-4-methylpiperidine, 1-bromo-2-methyl-4-[(4-methylpiperidyl)sulfonyl]benzene
| Molecular Formula | C13H18BrNO2S |
|---|---|
| Molecular Weight | 331.02 g/mol |
| LogP | 3.17812 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.02417 |
| Heavy Atoms | 18 |
| Complexity | 533.92224 |
Chemical Identifiers
| CAS Number | 459186-77-7 |
|---|---|
| SMILES | CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C |
Product Overview
1-(4-Bromo-3-methylphenyl)sulfonyl-4-methylpiperidine (CAS 459186-77-7), with molecular formula C13H18BrNO2S and molecular weight 331.02 g/mol. IUPAC: 1-(4-bromo-3-methylphenyl)sulfonyl-4-methylpiperidine.
Chemical Property Profile of 1-(4-Bromo-3-methylphenyl)sulfonyl-4-methylpiperidine
Property Insights of 1-(4-Bromo-3-methylphenyl)sulfonyl-4-methylpiperidine
The XLogP value of 3.17812 indicates that 1-(4-Bromo-3-methylphenyl)sulfonyl-4-methylpiperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 1-(4-Bromo-3-methylphenyl)sulfonyl-4-methylpiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromo-3-methylphenyl)sulfonyl-4-methylpiperidine has 0 hydrogen bond donor(s) and 2 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-methylphenyl)sulfonyl-4-methylpiperidine?
The CAS number of 1-(4-Bromo-3-methylphenyl)sulfonyl-4-methylpiperidine is 459186-77-7.
What is the molecular formula of 1-(4-Bromo-3-methylphenyl)sulfonyl-4-methylpiperidine?
The molecular formula of 1-(4-Bromo-3-methylphenyl)sulfonyl-4-methylpiperidine is C13H18BrNO2S.
What is the molecular weight of 1-(4-Bromo-3-methylphenyl)sulfonyl-4-methylpiperidine?
The molecular weight of 1-(4-Bromo-3-methylphenyl)sulfonyl-4-methylpiperidine is 331.02 g/mol.
Where can I buy 1-(4-Bromo-3-methylphenyl)sulfonyl-4-methylpiperidine?
You can request a quote for 1-(4-Bromo-3-methylphenyl)sulfonyl-4-methylpiperidine 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-methylphenyl)sulfonyl-4-methylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromo-3-methylphenyl)sulfonyl-4-methylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.