1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine
TL;DR: 1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine (CAS 355396-85-9) is a chemical compound with molecular formula C19H23N3O2 and molecular weight 325.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine
Also Known As: BAS 01840717, 1-(4-methylbenzyl)-4-(3-nitrobenzyl)piperazine, 1-{3-nitrobenzyl}-4-(4-methylbenzyl)piperazine, 1-[(4-methylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine, 1-(4-Methyl-benzyl)-4-(3-nitro-benzyl)-piperazine
| Molecular Formula | C19H23N3O2 |
|---|---|
| Molecular Weight | 325.18 g/mol |
| LogP | 3.22102 |
| Topological Polar Surface Area | 49.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.17902 |
| Heavy Atoms | 24 |
| Complexity | 692.013 |
Chemical Identifiers
| CAS Number | 355396-85-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine (CAS 355396-85-9), with molecular formula C19H23N3O2 and molecular weight 325.18 g/mol. IUPAC: 1-[(4-methylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine.
Chemical Property Profile of 1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine
Property Insights of 1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine
The XLogP value of 3.22102 indicates that 1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.62 Ų, 1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine has 0 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 1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine?
The CAS number of 1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine is 355396-85-9.
What is the molecular formula of 1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine?
The molecular formula of 1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine is C19H23N3O2.
What is the molecular weight of 1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine?
The molecular weight of 1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine is 325.18 g/mol.
Where can I buy 1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine?
You can request a quote for 1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylbenzyl)-4-(3-nitrobenzyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.