1-(3-Chlorobenzyl)-4-(4-nitrophenyl)piperazine
TL;DR: 1-(3-Chlorobenzyl)-4-(4-nitrophenyl)piperazine (CAS 414891-85-3) is a chemical compound with molecular formula C17H18ClN3O2 and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-chlorophenyl)methyl]-4-(4-nitrophenyl)piperazine
Also Known As: 1-(3-chlorobenzyl)-4-(4-nitrophenyl)piperazine, 4-(4-(3-chlorobenzyl)piperazino)nitrobenzene, AB00078299-01, 1-[(3-chlorophenyl)methyl]-4-(4-nitrophenyl)piperazine
| Molecular Formula | C17H18ClN3O2 |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 3.5704 |
| Topological Polar Surface Area | 49.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.10876 |
| Heavy Atoms | 23 |
| Complexity | 682.49274 |
Chemical Identifiers
| CAS Number | 414891-85-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-(3-Chlorobenzyl)-4-(4-nitrophenyl)piperazine (CAS 414891-85-3), with molecular formula C17H18ClN3O2 and molecular weight 331.11 g/mol. IUPAC: 1-[(3-chlorophenyl)methyl]-4-(4-nitrophenyl)piperazine.
Chemical Property Profile of 1-(3-Chlorobenzyl)-4-(4-nitrophenyl)piperazine
Property Insights of 1-(3-Chlorobenzyl)-4-(4-nitrophenyl)piperazine
The XLogP value of 3.5704 indicates that 1-(3-Chlorobenzyl)-4-(4-nitrophenyl)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-(3-Chlorobenzyl)-4-(4-nitrophenyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorobenzyl)-4-(4-nitrophenyl)piperazine 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 1-(3-Chlorobenzyl)-4-(4-nitrophenyl)piperazine?
The CAS number of 1-(3-Chlorobenzyl)-4-(4-nitrophenyl)piperazine is 414891-85-3.
What is the molecular formula of 1-(3-Chlorobenzyl)-4-(4-nitrophenyl)piperazine?
The molecular formula of 1-(3-Chlorobenzyl)-4-(4-nitrophenyl)piperazine is C17H18ClN3O2.
What is the molecular weight of 1-(3-Chlorobenzyl)-4-(4-nitrophenyl)piperazine?
The molecular weight of 1-(3-Chlorobenzyl)-4-(4-nitrophenyl)piperazine is 331.11 g/mol.
Where can I buy 1-(3-Chlorobenzyl)-4-(4-nitrophenyl)piperazine?
You can request a quote for 1-(3-Chlorobenzyl)-4-(4-nitrophenyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorobenzyl)-4-(4-nitrophenyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorobenzyl)-4-(4-nitrophenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.