4-Benzyl-1-(4-methoxy-2,3-dimethylbenzenesulfonyl)piperidine
TL;DR: 4-Benzyl-1-(4-methoxy-2,3-dimethylbenzenesulfonyl)piperidine (CAS 865611-64-9) is a chemical compound with molecular formula C21H27NO3S and molecular weight 373.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperidine
Also Known As: 4-benzyl-1-(4-methoxy-2,3-dimethylbenzenesulfonyl)piperidine, AS-871/42173228, 4-benzyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperidine, 1-[(4-methoxy-2,3-dimethylphenyl)sulfonyl]-4-benzylpiperidine, 4-benzyl-1-[(4-methoxy-2,3-dimethylphenyl)sulfonyl]piperidine
| Molecular Formula | C21H27NO3S |
|---|---|
| Molecular Weight | 373.17 g/mol |
| LogP | 3.95544 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.17117 |
| Heavy Atoms | 26 |
| Complexity | 854.32495 |
Chemical Identifiers
| CAS Number | 865611-64-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1C)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)OC |
Product Overview
4-Benzyl-1-(4-methoxy-2,3-dimethylbenzenesulfonyl)piperidine (CAS 865611-64-9), with molecular formula C21H27NO3S and molecular weight 373.17 g/mol. IUPAC: 4-benzyl-1-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperidine.
Chemical Property Profile of 4-Benzyl-1-(4-methoxy-2,3-dimethylbenzenesulfonyl)piperidine
Property Insights of 4-Benzyl-1-(4-methoxy-2,3-dimethylbenzenesulfonyl)piperidine
The XLogP value of 3.95544 indicates that 4-Benzyl-1-(4-methoxy-2,3-dimethylbenzenesulfonyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 4-Benzyl-1-(4-methoxy-2,3-dimethylbenzenesulfonyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-1-(4-methoxy-2,3-dimethylbenzenesulfonyl)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 4-Benzyl-1-(4-methoxy-2,3-dimethylbenzenesulfonyl)piperidine?
The CAS number of 4-Benzyl-1-(4-methoxy-2,3-dimethylbenzenesulfonyl)piperidine is 865611-64-9.
What is the molecular formula of 4-Benzyl-1-(4-methoxy-2,3-dimethylbenzenesulfonyl)piperidine?
The molecular formula of 4-Benzyl-1-(4-methoxy-2,3-dimethylbenzenesulfonyl)piperidine is C21H27NO3S.
What is the molecular weight of 4-Benzyl-1-(4-methoxy-2,3-dimethylbenzenesulfonyl)piperidine?
The molecular weight of 4-Benzyl-1-(4-methoxy-2,3-dimethylbenzenesulfonyl)piperidine is 373.17 g/mol.
Where can I buy 4-Benzyl-1-(4-methoxy-2,3-dimethylbenzenesulfonyl)piperidine?
You can request a quote for 4-Benzyl-1-(4-methoxy-2,3-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-(4-methoxy-2,3-dimethylbenzenesulfonyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-1-(4-methoxy-2,3-dimethylbenzenesulfonyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.