2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
TL;DR: 2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CAS 442555-71-7) 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.
2-(4-bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
Also Known As: BAS 03191760, BIM-0044897.P001, 2-(4-bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone, 2-(4-bromo-3-methylphenoxy)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethanone, 2-(4-Bromo-3-methyl-phenoxy)-1-(4-pyridin-2-yl-piperazin-1-yl)-ethanone
| Molecular Formula | C18H20BrN3O2 |
|---|---|
| Molecular Weight | 389.07 g/mol |
| LogP | 2.88012 |
| Topological Polar Surface Area | 45.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.07388 |
| Heavy Atoms | 24 |
| Complexity | 700.665 |
Chemical Identifiers
| CAS Number | 442555-71-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)Br |
Product Overview
2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CAS 442555-71-7), with molecular formula C18H20BrN3O2 and molecular weight 389.07 g/mol. IUPAC: 2-(4-bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
Chemical Property Profile of 2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
Property Insights of 2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
The XLogP value of 2.88012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone. With a topological polar surface area (TPSA) of 45.67 Ų, 2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone 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 2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The CAS number of 2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is 442555-71-7.
What is the molecular formula of 2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The molecular formula of 2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is C18H20BrN3O2.
What is the molecular weight of 2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The molecular weight of 2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is 389.07 g/mol.
Where can I buy 2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
You can request a quote for 2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromo-3-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.