1-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine
TL;DR: 1-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine (CAS 355820-98-3) is a chemical compound with molecular formula C21H27N3O4 and molecular weight 385.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine
Also Known As: BAS 01840377, AB00099966-01, 1-(4,5-dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine, 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine, 1-{2-nitro-4,5-dimethoxybenzyl}-4-(4-methylbenzyl)piperazine
| Molecular Formula | C21H27N3O4 |
|---|---|
| Molecular Weight | 385.20 g/mol |
| LogP | 3.23822 |
| Topological Polar Surface Area | 68.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 385.20016 |
| Heavy Atoms | 28 |
| Complexity | 815.14557 |
Chemical Identifiers
| CAS Number | 355820-98-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC |
Product Overview
1-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine (CAS 355820-98-3), with molecular formula C21H27N3O4 and molecular weight 385.20 g/mol. IUPAC: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine.
Chemical Property Profile of 1-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine
Property Insights of 1-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine
The XLogP value of 3.23822 indicates that 1-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine. Following Lipinski's Rule of Five, 1-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine has 0 hydrogen bond donor(s) and 6 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-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine?
The CAS number of 1-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine is 355820-98-3.
What is the molecular formula of 1-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine?
The molecular formula of 1-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine is C21H27N3O4.
What is the molecular weight of 1-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine?
The molecular weight of 1-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine is 385.20 g/mol.
Where can I buy 1-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine?
You can request a quote for 1-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,5-Dimethoxy-2-nitrobenzyl)-4-(4-methylbenzyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.