1-(4-Bromobenzyl)-4-(3,5-dimethoxybenzoyl)piperazine
TL;DR: 1-(4-Bromobenzyl)-4-(3,5-dimethoxybenzoyl)piperazine (CAS 332899-10-2) is a chemical compound with molecular formula C20H23BrN2O3 and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-bromophenyl)methyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
Also Known As: BAS 01376039, 1-(4-bromobenzyl)-4-(3,5-dimethoxybenzoyl)piperazine, [4-(4-Bromo-benzyl)-piperazin-1-yl]-(3,5-dimethoxy-phenyl)-methanone, [4-[(4-bromophenyl)methyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone, [4-(4-bromobenzyl)piperazin-1-yl](3,5-dimethoxyphenyl)methanone
| Molecular Formula | C20H23BrN2O3 |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 3.4243 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.0892 |
| Heavy Atoms | 26 |
| Complexity | 733.9017 |
Chemical Identifiers
| CAS Number | 332899-10-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)Br)OC |
Product Overview
1-(4-Bromobenzyl)-4-(3,5-dimethoxybenzoyl)piperazine (CAS 332899-10-2), with molecular formula C20H23BrN2O3 and molecular weight 418.09 g/mol. IUPAC: [4-[(4-bromophenyl)methyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone.
Chemical Property Profile of 1-(4-Bromobenzyl)-4-(3,5-dimethoxybenzoyl)piperazine
Property Insights of 1-(4-Bromobenzyl)-4-(3,5-dimethoxybenzoyl)piperazine
The XLogP value of 3.4243 indicates that 1-(4-Bromobenzyl)-4-(3,5-dimethoxybenzoyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, 1-(4-Bromobenzyl)-4-(3,5-dimethoxybenzoyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromobenzyl)-4-(3,5-dimethoxybenzoyl)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-(3,5-dimethoxybenzoyl)piperazine?
The CAS number of 1-(4-Bromobenzyl)-4-(3,5-dimethoxybenzoyl)piperazine is 332899-10-2.
What is the molecular formula of 1-(4-Bromobenzyl)-4-(3,5-dimethoxybenzoyl)piperazine?
The molecular formula of 1-(4-Bromobenzyl)-4-(3,5-dimethoxybenzoyl)piperazine is C20H23BrN2O3.
What is the molecular weight of 1-(4-Bromobenzyl)-4-(3,5-dimethoxybenzoyl)piperazine?
The molecular weight of 1-(4-Bromobenzyl)-4-(3,5-dimethoxybenzoyl)piperazine is 418.09 g/mol.
Where can I buy 1-(4-Bromobenzyl)-4-(3,5-dimethoxybenzoyl)piperazine?
You can request a quote for 1-(4-Bromobenzyl)-4-(3,5-dimethoxybenzoyl)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-(3,5-dimethoxybenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromobenzyl)-4-(3,5-dimethoxybenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.