Ethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate
TL;DR: Ethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate (CAS 313685-03-9) is a chemical compound with molecular formula C14H18ClNO4S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
Also Known As: Ethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate, ethyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate, BAS 00439986, ethyl 1-[(4-chlorophenyl)sulfonyl]piperidine-4-carboxylate, ethyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
| Molecular Formula | C14H18ClNO4S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.0645 |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 313685-03-9 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | QMZUEYTVCVLRFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate (CAS 313685-03-9), with molecular formula C14H18ClNO4S and molecular weight 331.06 g/mol. IUPAC: ethyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate
Property Insights of Ethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-((4-chlorophenyl)sulfonyl)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-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate?
The CAS number of Ethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate is 313685-03-9.
What is the molecular formula of Ethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate?
The molecular formula of Ethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate is C14H18ClNO4S.
What is the molecular weight of Ethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate?
The molecular weight of Ethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate is 331.06 g/mol.
Where can I buy Ethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate?
You can request a quote for Ethyl 1-((4-chlorophenyl)sulfonyl)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-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.