Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate
TL;DR: Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate (CAS 873589-36-7) is a chemical compound with molecular formula C16H22BrNO4S and molecular weight 403.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2-bromo-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxylate
Also Known As: AP-263/43302152, ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate, ethyl 1-(2-bromo-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxylate, ethyl 1-[(2-bromo-4,5-dimethylphenyl)sulfonyl]-4-piperidinecarboxylate, ethyl 1-[(2-bromo-4,5-dimethylphenyl)sulfonyl]piperidine-4-carboxylate
| Molecular Formula | C16H22BrNO4S |
|---|---|
| Molecular Weight | 403.05 g/mol |
| LogP | 3.02974 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.0453 |
| Heavy Atoms | 23 |
| Complexity | 694.2769 |
Chemical Identifiers
| CAS Number | 873589-36-7 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C)C)Br |
Product Overview
Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate (CAS 873589-36-7), with molecular formula C16H22BrNO4S and molecular weight 403.05 g/mol. IUPAC: ethyl 1-(2-bromo-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate
Property Insights of Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate
The XLogP value of 3.02974 indicates that Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 4 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 Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate?
The CAS number of Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate is 873589-36-7.
What is the molecular formula of Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate?
The molecular formula of Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate is C16H22BrNO4S.
What is the molecular weight of Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate?
The molecular weight of Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate is 403.05 g/mol.
Where can I buy Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate?
You can request a quote for Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(2-bromo-4,5-dimethylbenzenesulfonyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.