1-(4-Bromo-2-fluorobenzyl)homopiperazine
TL;DR: 1-(4-Bromo-2-fluorobenzyl)homopiperazine (CAS 646459-49-6) is a chemical compound with molecular formula C12H16BrFN2 and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-bromo-2-fluorophenyl)methyl]-1,4-diazepane
Also Known As: 1-(4-Bromo-2-fluorobenzyl)-1,4-diazepane, 1-[(4-bromo-2-fluorophenyl)methyl]-1,4-diazepane, 1- -1,4-DIAZEPANE, 1-(4-Bromo-2-fluorobenzyl)homopiperazine, BUTTPARK 96\08-75
| Molecular Formula | C12H16BrFN2 |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 2.3835 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.0481 |
| Heavy Atoms | 16 |
| Complexity | 348.87204 |
Chemical Identifiers
| CAS Number | 646459-49-6 |
|---|---|
| SMILES | C1CNCCN(C1)CC2=C(C=C(C=C2)Br)F |
Product Overview
1-(4-Bromo-2-fluorobenzyl)homopiperazine (CAS 646459-49-6), with molecular formula C12H16BrFN2 and molecular weight 286.05 g/mol. IUPAC: 1-[(4-bromo-2-fluorophenyl)methyl]-1,4-diazepane.
Chemical Property Profile of 1-(4-Bromo-2-fluorobenzyl)homopiperazine
Property Insights of 1-(4-Bromo-2-fluorobenzyl)homopiperazine
The XLogP value of 2.3835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Bromo-2-fluorobenzyl)homopiperazine. With a topological polar surface area (TPSA) of 15.27 Ų, 1-(4-Bromo-2-fluorobenzyl)homopiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromo-2-fluorobenzyl)homopiperazine has 1 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-(4-Bromo-2-fluorobenzyl)homopiperazine?
The CAS number of 1-(4-Bromo-2-fluorobenzyl)homopiperazine is 646459-49-6.
What is the molecular formula of 1-(4-Bromo-2-fluorobenzyl)homopiperazine?
The molecular formula of 1-(4-Bromo-2-fluorobenzyl)homopiperazine is C12H16BrFN2.
What is the molecular weight of 1-(4-Bromo-2-fluorobenzyl)homopiperazine?
The molecular weight of 1-(4-Bromo-2-fluorobenzyl)homopiperazine is 286.05 g/mol.
Where can I buy 1-(4-Bromo-2-fluorobenzyl)homopiperazine?
You can request a quote for 1-(4-Bromo-2-fluorobenzyl)homopiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromo-2-fluorobenzyl)homopiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromo-2-fluorobenzyl)homopiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.