4-Nitrobenzylpiperazine
TL;DR: 4-Nitrobenzylpiperazine (CAS 58198-49-5) is a chemical compound with molecular formula C11H16ClN3O2 and molecular weight 257.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-nitrophenyl)methyl]piperazine;hydrochloride
Also Known As: 4-Nitrobenzylpiperazine, Trifluoroacetic acid-d, USAF IN-821, Trifluoroacetic Acid-d(Isotopic), N-(p-Nitrobenzyl)piperazine hydrochloride
| Molecular Formula | C11H16ClN3O2 |
|---|---|
| Molecular Weight | 257.09 g/mol |
| LogP | 1.42 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.0931 |
| Heavy Atoms | 17 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 58198-49-5 |
|---|---|
| SMILES | C1CN(CCN1)CC2=CC=C(C=C2)[N+](=O)[O-].Cl |
| InChIKey | RKOLZKKLAVRQBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrobenzylpiperazine (CAS 58198-49-5), with molecular formula C11H16ClN3O2 and molecular weight 257.09 g/mol. IUPAC: 1-[(4-nitrophenyl)methyl]piperazine;hydrochloride.
Chemical Property Profile of 4-Nitrobenzylpiperazine
Property Insights of 4-Nitrobenzylpiperazine
The XLogP value of 1.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzylpiperazine. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzylpiperazine. Following Lipinski's Rule of Five, 4-Nitrobenzylpiperazine has 2 hydrogen bond donor(s) and 4 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-Nitrobenzylpiperazine?
The CAS number of 4-Nitrobenzylpiperazine is 58198-49-5.
What is the molecular formula of 4-Nitrobenzylpiperazine?
The molecular formula of 4-Nitrobenzylpiperazine is C11H16ClN3O2.
What is the molecular weight of 4-Nitrobenzylpiperazine?
The molecular weight of 4-Nitrobenzylpiperazine is 257.09 g/mol.
Where can I buy 4-Nitrobenzylpiperazine?
You can request a quote for 4-Nitrobenzylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.