Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
TL;DR: Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate (CAS 217487-18-8) is a chemical compound with molecular formula C9H17NO4S and molecular weight 235.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methylsulfonylpiperidine-4-carboxylate
Also Known As: ethyl 1-(methylsulfonyl)piperidine-4-carboxylate, Ethyl 1-(methylsulfonyl)-4-piperidinecarboxylate, ethyl 1-methylsulfonylpiperidine-4-carboxylate, ethyl 1-methanesulfonylpiperidine-4-carboxylate, Ethyl N-Methylsulfonylisonipecotate
| Molecular Formula | C9H17NO4S |
|---|---|
| Molecular Weight | 235.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08783 |
| Heavy Atoms | 15 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 217487-18-8 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)S(=O)(=O)C |
| InChIKey | ZEISHOJDDIABID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate (CAS 217487-18-8), with molecular formula C9H17NO4S and molecular weight 235.09 g/mol. IUPAC: ethyl 1-methylsulfonylpiperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
Property Insights of Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 5 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-(methylsulfonyl)piperidine-4-carboxylate?
The CAS number of Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate is 217487-18-8.
What is the molecular formula of Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate?
The molecular formula of Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate is C9H17NO4S.
What is the molecular weight of Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate?
The molecular weight of Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate is 235.09 g/mol.
Where can I buy Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate?
You can request a quote for Ethyl 1-(methylsulfonyl)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-(methylsulfonyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.