4-(2-Bromobenzyl)-1-piperazinecarbaldehyde
TL;DR: 4-(2-Bromobenzyl)-1-piperazinecarbaldehyde (CAS 416867-75-9) is a chemical compound with molecular formula C12H15BrN2O and molecular weight 282.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-bromophenyl)methyl]piperazine-1-carbaldehyde
Also Known As: 4-[(2-bromophenyl)methyl]piperazine-1-carbaldehyde, 4-(2-bromobenzyl)-1-piperazinecarbaldehyde, 4-(2-Bromobenzyl)piperazine-1-carbaldehyde, AB00085811-01
| Molecular Formula | C12H15BrN2O |
|---|---|
| Molecular Weight | 282.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.03677 |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 416867-75-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2Br)C=O |
| InChIKey | LGAKFASEJNWVJK-UHFFFAOYSA-N |
Product Overview
4-(2-Bromobenzyl)-1-piperazinecarbaldehyde (CAS 416867-75-9), with molecular formula C12H15BrN2O and molecular weight 282.04 g/mol. IUPAC: 4-[(2-bromophenyl)methyl]piperazine-1-carbaldehyde.
Chemical Property Profile of 4-(2-Bromobenzyl)-1-piperazinecarbaldehyde
Property Insights of 4-(2-Bromobenzyl)-1-piperazinecarbaldehyde
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Bromobenzyl)-1-piperazinecarbaldehyde. With a topological polar surface area (TPSA) of 23.6 Ų, 4-(2-Bromobenzyl)-1-piperazinecarbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Bromobenzyl)-1-piperazinecarbaldehyde 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 4-(2-Bromobenzyl)-1-piperazinecarbaldehyde?
The CAS number of 4-(2-Bromobenzyl)-1-piperazinecarbaldehyde is 416867-75-9.
What is the molecular formula of 4-(2-Bromobenzyl)-1-piperazinecarbaldehyde?
The molecular formula of 4-(2-Bromobenzyl)-1-piperazinecarbaldehyde is C12H15BrN2O.
What is the molecular weight of 4-(2-Bromobenzyl)-1-piperazinecarbaldehyde?
The molecular weight of 4-(2-Bromobenzyl)-1-piperazinecarbaldehyde is 282.04 g/mol.
Where can I buy 4-(2-Bromobenzyl)-1-piperazinecarbaldehyde?
You can request a quote for 4-(2-Bromobenzyl)-1-piperazinecarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Bromobenzyl)-1-piperazinecarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Bromobenzyl)-1-piperazinecarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.