![Methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate structure](/static/products/4782/478246-67-2.webp)
Methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate
TL;DR: Methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate (CAS 478246-67-2) is a chemical compound with molecular formula C20H20BrN3O5 and molecular weight 461.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-[2-(4-bromophenyl)-2-oxoethyl]piperazin-1-yl]-3-nitrobenzoate
Also Known As: 9N-071, methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate, methyl 4-[4-[2-(4-bromophenyl)-2-oxoethyl]piperazin-1-yl]-3-nitrobenzoate, methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazin-1-yl}-3-nitrobenzoate, methyl4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazin-1-yl}-3-nitrobenzoate
| Molecular Formula | C20H20BrN3O5 |
|---|---|
| Molecular Weight | 461.06 g/mol |
| LogP | 3.1488 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.05862 |
| Heavy Atoms | 29 |
| Complexity | 924.2139 |
Chemical Identifiers
| CAS Number | 478246-67-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-] |
Product Overview
Methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate (CAS 478246-67-2), with molecular formula C20H20BrN3O5 and molecular weight 461.06 g/mol. IUPAC: methyl 4-[4-[2-(4-bromophenyl)-2-oxoethyl]piperazin-1-yl]-3-nitrobenzoate.
Chemical Property Profile of Methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate
Property Insights of Methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate
The XLogP value of 3.1488 indicates that Methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, Methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate has 0 hydrogen bond donor(s) and 7 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-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate?
The CAS number of Methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate is 478246-67-2.
What is the molecular formula of Methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate?
The molecular formula of Methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate is C20H20BrN3O5.
What is the molecular weight of Methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate?
The molecular weight of Methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate is 461.06 g/mol.
Where can I buy Methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate?
You can request a quote for Methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]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-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{4-[2-(4-bromophenyl)-2-oxoethyl]piperazino}-3-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.