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Ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate
TL;DR: Ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate (CAS 311797-76-9) is a chemical compound with molecular formula C20H22N2O6S and molecular weight 418.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate
Also Known As: BIM-0004880.P001, ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate, ethyl 1-[(4'-nitrobiphenyl-4-yl)sulfonyl]piperidine-4-carboxylate, ethyl 1-((4'-nitro-[1,1'-biphenyl]-4-yl)sulfonyl)piperidine-4-carboxylate
| Molecular Formula | C20H22N2O6S |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 3.2256 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.11984 |
| Heavy Atoms | 29 |
| Complexity | 978.6364 |
Chemical Identifiers
| CAS Number | 311797-76-9 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
Ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate (CAS 311797-76-9), with molecular formula C20H22N2O6S and molecular weight 418.12 g/mol. IUPAC: ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate
Property Insights of Ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate
The XLogP value of 3.2256 indicates that Ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate has 0 hydrogen bond donor(s) and 6 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-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate?
The CAS number of Ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate is 311797-76-9.
What is the molecular formula of Ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate?
The molecular formula of Ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate is C20H22N2O6S.
What is the molecular weight of Ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate?
The molecular weight of Ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate is 418.12 g/mol.
Where can I buy Ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate?
You can request a quote for Ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-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-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[4-(4-nitrophenyl)phenyl]sulfonylpiperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.