1-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine
TL;DR: 1-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine (CAS 423751-31-9) is a chemical compound with molecular formula C19H22BrN3O3 and molecular weight 419.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine
Also Known As: BIM-0038933.P001, 1-(5-bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine, 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine
| Molecular Formula | C19H22BrN3O3 |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 3.6837 |
| Topological Polar Surface Area | 58.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.08444 |
| Heavy Atoms | 26 |
| Complexity | 776.3747 |
Chemical Identifiers
| CAS Number | 423751-31-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
1-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine (CAS 423751-31-9), with molecular formula C19H22BrN3O3 and molecular weight 419.08 g/mol. IUPAC: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine.
Chemical Property Profile of 1-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine
Property Insights of 1-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine
The XLogP value of 3.6837 indicates that 1-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.85 Ų, 1-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine has 0 hydrogen bond donor(s) and 5 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-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine?
The CAS number of 1-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine is 423751-31-9.
What is the molecular formula of 1-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine?
The molecular formula of 1-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine is C19H22BrN3O3.
What is the molecular weight of 1-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine?
The molecular weight of 1-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine is 419.08 g/mol.
Where can I buy 1-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine?
You can request a quote for 1-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromo-2-methoxybenzyl)-4-(3-nitrobenzyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.