4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine
TL;DR: 4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine (CAS 428491-93-4) is a chemical compound with molecular formula C20H24BrNO2S and molecular weight 421.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-1-(2-bromo-4,5-dimethylphenyl)sulfonylpiperidine
Also Known As: 4-benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine, 4-benzyl-1-(2-bromo-4,5-dimethylphenyl)sulfonylpiperidine, 2-bromo-4,5-dimethyl-1-{[4-benzylpiperidyl]sulfonyl}benzene
| Molecular Formula | C20H24BrNO2S |
|---|---|
| Molecular Weight | 421.07 g/mol |
| LogP | 4.70934 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.0711 |
| Heavy Atoms | 25 |
| Complexity | 841.49994 |
Chemical Identifiers
| CAS Number | 428491-93-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)Br)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3 |
Product Overview
4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine (CAS 428491-93-4), with molecular formula C20H24BrNO2S and molecular weight 421.07 g/mol. IUPAC: 4-benzyl-1-(2-bromo-4,5-dimethylphenyl)sulfonylpiperidine.
Chemical Property Profile of 4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine
Property Insights of 4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine
The XLogP value of 4.70934 indicates that 4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine 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 4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine?
The CAS number of 4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine is 428491-93-4.
What is the molecular formula of 4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine?
The molecular formula of 4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine is C20H24BrNO2S.
What is the molecular weight of 4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine?
The molecular weight of 4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine is 421.07 g/mol.
Where can I buy 4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine?
You can request a quote for 4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.