![1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine structure](/static/products/4778/477869-39-9.webp)
1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine
TL;DR: 1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine (CAS 477869-39-9) is a chemical compound with molecular formula C24H24ClN3O2S and molecular weight 453.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl]piperazine
Also Known As: 1P-651S, 1-benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine, 1-benzyl-4-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl]piperazine, 1-benzyl-4-({4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}methyl)piperazine, 1-benzyl-4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]piperazine
| Molecular Formula | C24H24ClN3O2S |
|---|---|
| Molecular Weight | 453.13 g/mol |
| LogP | 5.7172 |
| Topological Polar Surface Area | 49.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.12778 |
| Heavy Atoms | 31 |
| Complexity | 1022.7542 |
Chemical Identifiers
| CAS Number | 477869-39-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)CC3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-] |
Product Overview
1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine (CAS 477869-39-9), with molecular formula C24H24ClN3O2S and molecular weight 453.13 g/mol. IUPAC: 1-benzyl-4-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl]piperazine.
Chemical Property Profile of 1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine
Property Insights of 1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine
The XLogP value of 5.7172 indicates that 1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.62 Ų, 1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine?
The CAS number of 1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine is 477869-39-9.
What is the molecular formula of 1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine?
The molecular formula of 1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine is C24H24ClN3O2S.
What is the molecular weight of 1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine?
The molecular weight of 1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine is 453.13 g/mol.
Where can I buy 1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine?
You can request a quote for 1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.