![Methyl 4-[4-(4-methylbenzyl)piperazino]-3-nitrobenzenecarboxylate structure](/static/products/4782/478246-63-8.webp)
Methyl 4-[4-(4-methylbenzyl)piperazino]-3-nitrobenzenecarboxylate
TL;DR: Methyl 4-[4-(4-methylbenzyl)piperazino]-3-nitrobenzenecarboxylate (CAS 478246-63-8) is a chemical compound with molecular formula C20H23N3O4 and molecular weight 369.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-nitrobenzoate
Also Known As: methyl 4-[4-(4-methylbenzyl)piperazino]-3-nitrobenzenecarboxylate, 9N-060, methyl 4-{4-[(4-methylphenyl)methyl]piperazin-1-yl}-3-nitrobenzoate, methyl 4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-nitrobenzoate, methyl 3-nitro-4-[4-(p-tolylmethyl)piperazin-1-yl]benzoate
| Molecular Formula | C20H23N3O4 |
|---|---|
| Molecular Weight | 369.17 g/mol |
| LogP | 3.01202 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.16885 |
| Heavy Atoms | 27 |
| Complexity | 827.6205 |
Chemical Identifiers
| CAS Number | 478246-63-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-] |
Product Overview
Methyl 4-[4-(4-methylbenzyl)piperazino]-3-nitrobenzenecarboxylate (CAS 478246-63-8), with molecular formula C20H23N3O4 and molecular weight 369.17 g/mol. IUPAC: methyl 4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-nitrobenzoate.
Chemical Property Profile of Methyl 4-[4-(4-methylbenzyl)piperazino]-3-nitrobenzenecarboxylate
Property Insights of Methyl 4-[4-(4-methylbenzyl)piperazino]-3-nitrobenzenecarboxylate
The XLogP value of 3.01202 indicates that Methyl 4-[4-(4-methylbenzyl)piperazino]-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 4-[4-(4-methylbenzyl)piperazino]-3-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, Methyl 4-[4-(4-methylbenzyl)piperazino]-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 4-[4-(4-methylbenzyl)piperazino]-3-nitrobenzenecarboxylate?
The CAS number of Methyl 4-[4-(4-methylbenzyl)piperazino]-3-nitrobenzenecarboxylate is 478246-63-8.
What is the molecular formula of Methyl 4-[4-(4-methylbenzyl)piperazino]-3-nitrobenzenecarboxylate?
The molecular formula of Methyl 4-[4-(4-methylbenzyl)piperazino]-3-nitrobenzenecarboxylate is C20H23N3O4.
What is the molecular weight of Methyl 4-[4-(4-methylbenzyl)piperazino]-3-nitrobenzenecarboxylate?
The molecular weight of Methyl 4-[4-(4-methylbenzyl)piperazino]-3-nitrobenzenecarboxylate is 369.17 g/mol.
Where can I buy Methyl 4-[4-(4-methylbenzyl)piperazino]-3-nitrobenzenecarboxylate?
You can request a quote for Methyl 4-[4-(4-methylbenzyl)piperazino]-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 4-[4-(4-methylbenzyl)piperazino]-3-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[4-(4-methylbenzyl)piperazino]-3-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.