4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine
TL;DR: 4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine (CAS 332021-39-3) is a chemical compound with molecular formula C18H19ClN2O4S and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-1-(4-chloro-3-nitrophenyl)sulfonylpiperidine
Also Known As: BAS 00804359, 4-benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine, 4-benzyl-1-(4-chloro-3-nitrophenyl)sulfonylpiperidine, 1-chloro-2-nitro-4-{[4-benzylpiperidyl]sulfonyl}benzene, 4-benzyl-1-[(4-chloro-3-nitrophenyl)sulfonyl]piperidine
| Molecular Formula | C18H19ClN2O4S |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 3.8916 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.0754 |
| Heavy Atoms | 26 |
| Complexity | 894.66205 |
Chemical Identifiers
| CAS Number | 332021-39-3 |
|---|---|
| SMILES | C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine (CAS 332021-39-3), with molecular formula C18H19ClN2O4S and molecular weight 394.08 g/mol. IUPAC: 4-benzyl-1-(4-chloro-3-nitrophenyl)sulfonylpiperidine.
Chemical Property Profile of 4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine
Property Insights of 4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine
The XLogP value of 3.8916 indicates that 4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine. Following Lipinski's Rule of Five, 4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine has 0 hydrogen bond donor(s) and 4 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 4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine?
The CAS number of 4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine is 332021-39-3.
What is the molecular formula of 4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine?
The molecular formula of 4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine is C18H19ClN2O4S.
What is the molecular weight of 4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine?
The molecular weight of 4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine is 394.08 g/mol.
Where can I buy 4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine?
You can request a quote for 4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-1-(4-chloro-3-nitrobenzenesulfonyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.