1-(3-Bromobenzyl)-4-ethylpiperazine
TL;DR: 1-(3-Bromobenzyl)-4-ethylpiperazine (CAS 2231-54-1) is a chemical compound with molecular formula C13H19BrN2 and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-bromophenyl)methyl]-4-ethylpiperazine
Also Known As: 1-(3-bromobenzyl)-4-ethylpiperazine, 3-(oxolan-2-yl)propanal, 1-[(3-bromophenyl)methyl]-4-ethylpiperazine, 1-[(3-bromophenyl)methyl]-4-ethyl-piperazine, Cambridge id 5269447
| Molecular Formula | C13H19BrN2 |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.07315 |
| Heavy Atoms | 16 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 2231-54-1 |
|---|---|
| SMILES | CCN1CCN(CC1)CC2=CC(=CC=C2)Br |
| InChIKey | IBODGTMVMJMAQQ-UHFFFAOYSA-N |
Product Overview
1-(3-Bromobenzyl)-4-ethylpiperazine (CAS 2231-54-1), with molecular formula C13H19BrN2 and molecular weight 282.07 g/mol. IUPAC: 1-[(3-bromophenyl)methyl]-4-ethylpiperazine.
Chemical Property Profile of 1-(3-Bromobenzyl)-4-ethylpiperazine
Property Insights of 1-(3-Bromobenzyl)-4-ethylpiperazine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Bromobenzyl)-4-ethylpiperazine. With a topological polar surface area (TPSA) of 6.5 Ų, 1-(3-Bromobenzyl)-4-ethylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromobenzyl)-4-ethylpiperazine has 0 hydrogen bond donor(s) and 2 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-(3-Bromobenzyl)-4-ethylpiperazine?
The CAS number of 1-(3-Bromobenzyl)-4-ethylpiperazine is 2231-54-1.
What is the molecular formula of 1-(3-Bromobenzyl)-4-ethylpiperazine?
The molecular formula of 1-(3-Bromobenzyl)-4-ethylpiperazine is C13H19BrN2.
What is the molecular weight of 1-(3-Bromobenzyl)-4-ethylpiperazine?
The molecular weight of 1-(3-Bromobenzyl)-4-ethylpiperazine is 282.07 g/mol.
Where can I buy 1-(3-Bromobenzyl)-4-ethylpiperazine?
You can request a quote for 1-(3-Bromobenzyl)-4-ethylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Bromobenzyl)-4-ethylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromobenzyl)-4-ethylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.