4-Benzoyl-1-piperazinecarboxaldehyde
TL;DR: 4-Benzoyl-1-piperazinecarboxaldehyde (CAS 57238-77-4) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzoylpiperazine-1-carbaldehyde
Also Known As: 4-benzoyl-1-piperazinecarboxaldehyde, TimTec1_004616, 4-benzoylpiperazine-1-carbaldehyde, 4-Benzoyl-1-piperazinecarbaldehyde, 4-(phenylcarbonyl)piperazinecarbaldehyde
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 57238-77-4 |
|---|---|
| SMILES | C1CN(CCN1C=O)C(=O)C2=CC=CC=C2 |
| InChIKey | JBDXTNLTELFZEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzoyl-1-piperazinecarboxaldehyde (CAS 57238-77-4), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 4-benzoylpiperazine-1-carbaldehyde.
Chemical Property Profile of 4-Benzoyl-1-piperazinecarboxaldehyde
Property Insights of 4-Benzoyl-1-piperazinecarboxaldehyde
The XLogP value of -0.2 indicates that 4-Benzoyl-1-piperazinecarboxaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.6 Ų, 4-Benzoyl-1-piperazinecarboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzoyl-1-piperazinecarboxaldehyde 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-Benzoyl-1-piperazinecarboxaldehyde?
The CAS number of 4-Benzoyl-1-piperazinecarboxaldehyde is 57238-77-4.
What is the molecular formula of 4-Benzoyl-1-piperazinecarboxaldehyde?
The molecular formula of 4-Benzoyl-1-piperazinecarboxaldehyde is C12H14N2O2.
What is the molecular weight of 4-Benzoyl-1-piperazinecarboxaldehyde?
The molecular weight of 4-Benzoyl-1-piperazinecarboxaldehyde is 218.11 g/mol.
Where can I buy 4-Benzoyl-1-piperazinecarboxaldehyde?
You can request a quote for 4-Benzoyl-1-piperazinecarboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzoyl-1-piperazinecarboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzoyl-1-piperazinecarboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.