2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde
TL;DR: 2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde (CAS 879463-00-0) is a chemical compound with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylpiperazin-1-yl)-5-nitrobenzaldehyde
Also Known As: 2-(4-benzylpiperazin-1-yl)-5-nitrobenzaldehyde, 2-(4-benzylpiperazin-1-yl)-5-nitro-benzaldehyde
| Molecular Formula | C18H19N3O3 |
|---|---|
| Molecular Weight | 325.14 g/mol |
| LogP | 2.7295 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.14264 |
| Heavy Atoms | 24 |
| Complexity | 725.54376 |
Chemical Identifiers
| CAS Number | 879463-00-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C=O |
Product Overview
2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde (CAS 879463-00-0), with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol. IUPAC: 2-(4-benzylpiperazin-1-yl)-5-nitrobenzaldehyde.
Chemical Property Profile of 2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde
Property Insights of 2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde
The XLogP value of 2.7295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde. Following Lipinski's Rule of Five, 2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde has 0 hydrogen bond donor(s) and 5 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 2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde?
The CAS number of 2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde is 879463-00-0.
What is the molecular formula of 2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde?
The molecular formula of 2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde is C18H19N3O3.
What is the molecular weight of 2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde?
The molecular weight of 2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde is 325.14 g/mol.
Where can I buy 2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde?
You can request a quote for 2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Benzylpiperazin-1-yl)-5-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.