4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde
TL;DR: 4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde (CAS 27913-99-1) is a chemical compound with molecular formula C12H17N2O+ and molecular weight 205.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylpiperazin-4-ium-1-yl)benzaldehyde
Also Known As: 4-(4-methyl-1-piperazin-4-iumyl)benzaldehyde, 4-(4-methylpiperazin-4-ium-1-yl)benzaldehyde
| Molecular Formula | C12H17N2O+ |
|---|---|
| Molecular Weight | 205.13 g/mol |
| LogP | -0.1662 |
| Topological Polar Surface Area | 24.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.1341 |
| Heavy Atoms | 15 |
| Complexity | 325.9803 |
Chemical Identifiers
| CAS Number | 27913-99-1 |
|---|---|
| SMILES | C[NH+]1CCN(CC1)C2=CC=C(C=C2)C=O |
Product Overview
4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde (CAS 27913-99-1), with molecular formula C12H17N2O+ and molecular weight 205.13 g/mol. IUPAC: 4-(4-methylpiperazin-4-ium-1-yl)benzaldehyde.
Chemical Property Profile of 4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde
Property Insights of 4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde
The XLogP value of -0.1662 indicates that 4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.75 Ų, 4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde 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 4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde?
The CAS number of 4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde is 27913-99-1.
What is the molecular formula of 4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde?
The molecular formula of 4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde is C12H17N2O+.
What is the molecular weight of 4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde?
The molecular weight of 4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde is 205.13 g/mol.
Where can I buy 4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde?
You can request a quote for 4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methyl-1-piperazin-4-iumyl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.