3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)propanamide
TL;DR: 3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)propanamide (CAS 428852-22-6) is a chemical compound with molecular formula C21H26BrN3O and molecular weight 415.13 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-bromo-3-methylphenyl)propanamide
Also Known As: 3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)propanamide, AB00823424-06, AT-057/43314348, N-(4-Bromo-3-methylphenyl)-4-(phenylmethyl)-1-piperazinepropanamide, 3-(4-benzyl-1-piperazinyl)-N-(4-bromo-3-methylphenyl)propanamide
| Molecular Formula | C21H26BrN3O |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 3.90392 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.12592 |
| Heavy Atoms | 26 |
| Complexity | 727.29095 |
Chemical Identifiers
| CAS Number | 428852-22-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3)Br |
Product Overview
3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)propanamide (CAS 428852-22-6), with molecular formula C21H26BrN3O and molecular weight 415.13 g/mol. IUPAC: 3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)propanamide.
Chemical Property Profile of 3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)propanamide
Property Insights of 3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)propanamide
The XLogP value of 3.90392 indicates that 3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)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-bromo-3-methylphenyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)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-bromo-3-methylphenyl)propanamide?
The CAS number of 3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)propanamide is 428852-22-6.
What is the molecular formula of 3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)propanamide?
The molecular formula of 3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)propanamide is C21H26BrN3O.
What is the molecular weight of 3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)propanamide?
The molecular weight of 3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)propanamide is 415.13 g/mol.
Where can I buy 3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)propanamide?
You can request a quote for 3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)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-bromo-3-methylphenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.