Ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate
TL;DR: Ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate (CAS 622816-72-2) is a chemical compound with molecular formula C13H16BrClN2O4S and molecular weight 409.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
Also Known As: AB00018730-01, AF-399/42309880, ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate, ethyl 1-(5-bromo-6-chloropyridin-3-yl)sulfonylpiperidine-3-carboxylate, ethyl 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-3-piperidinecarboxylate
| Molecular Formula | C13H16BrClN2O4S |
|---|---|
| Molecular Weight | 409.97 g/mol |
| LogP | 2.4613 |
| Topological Polar Surface Area | 76.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.97028 |
| Heavy Atoms | 22 |
| Complexity | 668.00397 |
Chemical Identifiers
| CAS Number | 622816-72-2 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC(=C(N=C2)Cl)Br |
Product Overview
Ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate (CAS 622816-72-2), with molecular formula C13H16BrClN2O4S and molecular weight 409.97 g/mol. IUPAC: ethyl 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate
Property Insights of Ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate
The XLogP value of 2.4613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate. The TPSA of 76.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-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-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate?
The CAS number of Ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate is 622816-72-2.
What is the molecular formula of Ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate?
The molecular formula of Ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate is C13H16BrClN2O4S.
What is the molecular weight of Ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate?
The molecular weight of Ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate is 409.97 g/mol.
Where can I buy Ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate?
You can request a quote for Ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-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-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-((5-bromo-6-chloropyridin-3-yl)sulfonyl)piperidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.