![Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate structure](/static/products/860/860784-16-3.png)
Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate
TL;DR: Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate (CAS 860784-16-3) is a chemical compound with molecular formula C21H25N3O4 and molecular weight 383.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl]-3-nitrobenzoate
Also Known As: methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate, methyl 2-{[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl}-3-nitrobenzoate, methyl 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl]-3-nitrobenzoate, Methyl 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl]-3-nitro-benzoate, methyl2-{[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl}-3-nitrobenzoate
| Molecular Formula | C21H25N3O4 |
|---|---|
| Molecular Weight | 383.18 g/mol |
| LogP | 3.32044 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.1845 |
| Heavy Atoms | 28 |
| Complexity | 868.9646 |
Chemical Identifiers
| CAS Number | 860784-16-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2CCN(CC2)CC3=C(C=CC=C3[N+](=O)[O-])C(=O)OC |
Product Overview
Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate (CAS 860784-16-3), with molecular formula C21H25N3O4 and molecular weight 383.18 g/mol. IUPAC: methyl 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl]-3-nitrobenzoate.
Chemical Property Profile of Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate
Property Insights of Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate
The XLogP value of 3.32044 indicates that Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate 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 Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate?
The CAS number of Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate is 860784-16-3.
What is the molecular formula of Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate?
The molecular formula of Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate is C21H25N3O4.
What is the molecular weight of Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate?
The molecular weight of Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate is 383.18 g/mol.
Where can I buy Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate?
You can request a quote for Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.