3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide
TL;DR: 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide (CAS 428504-68-1) is a chemical compound with molecular formula C20H24BrN3O and molecular weight 401.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide
Also Known As: 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide, AT-057/40758451, N-(4-bromophenyl)-3-[4-benzylpiperazinyl]propanamide, 3-(4-benzyl-1-piperazinyl)-N-(4-bromophenyl)propanamide, 3-(4-BENZYLPIPERAZINO)-N~1~-(4-BROMOPHENYL)PROPANAMIDE
| Molecular Formula | C20H24BrN3O |
|---|---|
| Molecular Weight | 401.11 g/mol |
| LogP | 3.5955 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.11026 |
| Heavy Atoms | 25 |
| Complexity | 667.10046 |
Chemical Identifiers
| CAS Number | 428504-68-1 |
|---|---|
| SMILES | C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)Br)CC3=CC=CC=C3 |
Product Overview
3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide (CAS 428504-68-1), with molecular formula C20H24BrN3O and molecular weight 401.11 g/mol. IUPAC: 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide.
Chemical Property Profile of 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide
Property Insights of 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide
The XLogP value of 3.5955 indicates that 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.58 Ų, 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide has 1 hydrogen bond donor(s) and 3 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 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide?
The CAS number of 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide is 428504-68-1.
What is the molecular formula of 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide?
The molecular formula of 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide is C20H24BrN3O.
What is the molecular weight of 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide?
The molecular weight of 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide is 401.11 g/mol.
Where can I buy 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide?
You can request a quote for 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.