![methyl 4-[4-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)piperazino]-3-nitrobenzenecarboxylate structure](/static/products/4782/478246-55-8.webp)
methyl 4-[4-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)piperazino]-3-nitrobenzenecarboxylate
TL;DR: methyl 4-[4-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)piperazino]-3-nitrobenzenecarboxylate (CAS 478246-55-8) is a chemical compound with molecular formula C26H25N3O5 and molecular weight 459.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-4-[4-[2-oxo-2-(4-phenylphenyl)ethyl]piperazin-1-yl]benzoate
Also Known As: methyl 4-[4-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)piperazino]-3-nitrobenzenecarboxylate, methyl 3-nitro-4-[4-[2-oxo-2-(4-phenylphenyl)ethyl]piperazin-1-yl]benzoate, methyl 4-[4-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl)piperazin-1-yl]-3-nitrobenzoate, methyl4-[4-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl)piperazin-1-yl]-3-nitrobenzoate
| Molecular Formula | C26H25N3O5 |
|---|---|
| Molecular Weight | 459.18 g/mol |
| LogP | 4.0533 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.1794 |
| Heavy Atoms | 34 |
| Complexity | 1186.8177 |
Chemical Identifiers
| CAS Number | 478246-55-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
methyl 4-[4-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)piperazino]-3-nitrobenzenecarboxylate (CAS 478246-55-8), with molecular formula C26H25N3O5 and molecular weight 459.18 g/mol. IUPAC: methyl 3-nitro-4-[4-[2-oxo-2-(4-phenylphenyl)ethyl]piperazin-1-yl]benzoate.
Chemical Property Profile of methyl 4-[4-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)piperazino]-3-nitrobenzenecarboxylate
Property Insights of methyl 4-[4-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)piperazino]-3-nitrobenzenecarboxylate
The XLogP value of 4.0533 indicates that methyl 4-[4-(2-[1,1'-biphenyl]-4-yl-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-[1,1'-biphenyl]-4-yl-2-oxoethyl)piperazino]-3-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, methyl 4-[4-(2-[1,1'-biphenyl]-4-yl-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-[1,1'-biphenyl]-4-yl-2-oxoethyl)piperazino]-3-nitrobenzenecarboxylate?
The CAS number of methyl 4-[4-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)piperazino]-3-nitrobenzenecarboxylate is 478246-55-8.
What is the molecular formula of methyl 4-[4-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)piperazino]-3-nitrobenzenecarboxylate?
The molecular formula of methyl 4-[4-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)piperazino]-3-nitrobenzenecarboxylate is C26H25N3O5.
What is the molecular weight of methyl 4-[4-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)piperazino]-3-nitrobenzenecarboxylate?
The molecular weight of methyl 4-[4-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)piperazino]-3-nitrobenzenecarboxylate is 459.18 g/mol.
Where can I buy methyl 4-[4-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)piperazino]-3-nitrobenzenecarboxylate?
You can request a quote for methyl 4-[4-(2-[1,1'-biphenyl]-4-yl-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-[1,1'-biphenyl]-4-yl-2-oxoethyl)piperazino]-3-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[4-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)piperazino]-3-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.