1-Benzoyl-4-(2-bromobenzyl)piperazine
TL;DR: 1-Benzoyl-4-(2-bromobenzyl)piperazine (CAS 5817-80-1) is a chemical compound with molecular formula C18H19BrN2O and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-phenylmethanone
Also Known As: 1-benzoyl-4-(2-bromobenzyl)piperazine, BAS 01041932, [4-(2-bromobenzyl)piperazin-1-yl](phenyl)methanone, [4-[(2-bromophenyl)methyl]piperazin-1-yl]-phenylmethanone, 4-[(2-bromophenyl)methyl]piperazinyl phenyl ketone
| Molecular Formula | C18H19BrN2O |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 3.4071 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.06808 |
| Heavy Atoms | 22 |
| Complexity | 636.5452 |
Chemical Identifiers
| CAS Number | 5817-80-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2Br)C(=O)C3=CC=CC=C3 |
Product Overview
1-Benzoyl-4-(2-bromobenzyl)piperazine (CAS 5817-80-1), with molecular formula C18H19BrN2O and molecular weight 358.07 g/mol. IUPAC: [4-[(2-bromophenyl)methyl]piperazin-1-yl]-phenylmethanone.
Chemical Property Profile of 1-Benzoyl-4-(2-bromobenzyl)piperazine
Property Insights of 1-Benzoyl-4-(2-bromobenzyl)piperazine
The XLogP value of 3.4071 indicates that 1-Benzoyl-4-(2-bromobenzyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 1-Benzoyl-4-(2-bromobenzyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoyl-4-(2-bromobenzyl)piperazine has 0 hydrogen bond donor(s) and 2 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-Benzoyl-4-(2-bromobenzyl)piperazine?
The CAS number of 1-Benzoyl-4-(2-bromobenzyl)piperazine is 5817-80-1.
What is the molecular formula of 1-Benzoyl-4-(2-bromobenzyl)piperazine?
The molecular formula of 1-Benzoyl-4-(2-bromobenzyl)piperazine is C18H19BrN2O.
What is the molecular weight of 1-Benzoyl-4-(2-bromobenzyl)piperazine?
The molecular weight of 1-Benzoyl-4-(2-bromobenzyl)piperazine is 358.07 g/mol.
Where can I buy 1-Benzoyl-4-(2-bromobenzyl)piperazine?
You can request a quote for 1-Benzoyl-4-(2-bromobenzyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoyl-4-(2-bromobenzyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-4-(2-bromobenzyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.