1-(4-Bromobenzyl)-4-(3-nitrobenzyl)piperazine
TL;DR: 1-(4-Bromobenzyl)-4-(3-nitrobenzyl)piperazine (CAS 355396-77-9) is a chemical compound with molecular formula C18H20BrN3O2 and molecular weight 389.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-bromophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine
Also Known As: BAS 01840696, 1-(4-bromobenzyl)-4-(3-nitrobenzyl)piperazine, 1-(4-bromobenzyl)-4-{3-nitrobenzyl}piperazine, 1-(4-Bromo-benzyl)-4-(3-nitro-benzyl)-piperazine, 1-[(4-bromophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine
| Molecular Formula | C18H20BrN3O2 |
|---|---|
| Molecular Weight | 389.07 g/mol |
| LogP | 3.6751 |
| Topological Polar Surface Area | 49.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.07388 |
| Heavy Atoms | 24 |
| Complexity | 697.665 |
Chemical Identifiers
| CAS Number | 355396-77-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=C(C=C2)Br)CC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
1-(4-Bromobenzyl)-4-(3-nitrobenzyl)piperazine (CAS 355396-77-9), with molecular formula C18H20BrN3O2 and molecular weight 389.07 g/mol. IUPAC: 1-[(4-bromophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine.
Chemical Property Profile of 1-(4-Bromobenzyl)-4-(3-nitrobenzyl)piperazine
Property Insights of 1-(4-Bromobenzyl)-4-(3-nitrobenzyl)piperazine
The XLogP value of 3.6751 indicates that 1-(4-Bromobenzyl)-4-(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-(4-Bromobenzyl)-4-(3-nitrobenzyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromobenzyl)-4-(3-nitrobenzyl)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-(4-Bromobenzyl)-4-(3-nitrobenzyl)piperazine?
The CAS number of 1-(4-Bromobenzyl)-4-(3-nitrobenzyl)piperazine is 355396-77-9.
What is the molecular formula of 1-(4-Bromobenzyl)-4-(3-nitrobenzyl)piperazine?
The molecular formula of 1-(4-Bromobenzyl)-4-(3-nitrobenzyl)piperazine is C18H20BrN3O2.
What is the molecular weight of 1-(4-Bromobenzyl)-4-(3-nitrobenzyl)piperazine?
The molecular weight of 1-(4-Bromobenzyl)-4-(3-nitrobenzyl)piperazine is 389.07 g/mol.
Where can I buy 1-(4-Bromobenzyl)-4-(3-nitrobenzyl)piperazine?
You can request a quote for 1-(4-Bromobenzyl)-4-(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-(4-Bromobenzyl)-4-(3-nitrobenzyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromobenzyl)-4-(3-nitrobenzyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.