Ethyl 1-(5-bromo-2-ethoxybenzenesulfonyl)piperidine-4-carboxylate
TL;DR: Ethyl 1-(5-bromo-2-ethoxybenzenesulfonyl)piperidine-4-carboxylate (CAS 380466-87-5) is a chemical compound with molecular formula C16H22BrNO5S and molecular weight 419.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
Also Known As: starbld0005121, ethyl 1-(5-bromo-2-ethoxybenzenesulfonyl)piperidine-4-carboxylate, AP-263/43412193, ethyl 1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxylate, Ethyl 1-((5-bromo-2-ethoxyphenyl)sulfonyl)piperidine-4-carboxylate
| Molecular Formula | C16H22BrNO5S |
|---|---|
| Molecular Weight | 419.04 g/mol |
| LogP | 2.8116 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.04022 |
| Heavy Atoms | 24 |
| Complexity | 683.70825 |
Chemical Identifiers
| CAS Number | 380466-87-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC(CC2)C(=O)OCC |
Product Overview
Ethyl 1-(5-bromo-2-ethoxybenzenesulfonyl)piperidine-4-carboxylate (CAS 380466-87-5), with molecular formula C16H22BrNO5S and molecular weight 419.04 g/mol. IUPAC: ethyl 1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-(5-bromo-2-ethoxybenzenesulfonyl)piperidine-4-carboxylate
Property Insights of Ethyl 1-(5-bromo-2-ethoxybenzenesulfonyl)piperidine-4-carboxylate
The XLogP value of 2.8116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(5-bromo-2-ethoxybenzenesulfonyl)piperidine-4-carboxylate. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(5-bromo-2-ethoxybenzenesulfonyl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(5-bromo-2-ethoxybenzenesulfonyl)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-(5-bromo-2-ethoxybenzenesulfonyl)piperidine-4-carboxylate?
The CAS number of Ethyl 1-(5-bromo-2-ethoxybenzenesulfonyl)piperidine-4-carboxylate is 380466-87-5.
What is the molecular formula of Ethyl 1-(5-bromo-2-ethoxybenzenesulfonyl)piperidine-4-carboxylate?
The molecular formula of Ethyl 1-(5-bromo-2-ethoxybenzenesulfonyl)piperidine-4-carboxylate is C16H22BrNO5S.
What is the molecular weight of Ethyl 1-(5-bromo-2-ethoxybenzenesulfonyl)piperidine-4-carboxylate?
The molecular weight of Ethyl 1-(5-bromo-2-ethoxybenzenesulfonyl)piperidine-4-carboxylate is 419.04 g/mol.
Where can I buy Ethyl 1-(5-bromo-2-ethoxybenzenesulfonyl)piperidine-4-carboxylate?
You can request a quote for Ethyl 1-(5-bromo-2-ethoxybenzenesulfonyl)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-(5-bromo-2-ethoxybenzenesulfonyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(5-bromo-2-ethoxybenzenesulfonyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.