![Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate structure](/static/products/4782/478246-52-5.webp)
Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate
TL;DR: Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate (CAS 478246-52-5) is a chemical compound with molecular formula C17H17N5O6 and molecular weight 387.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-4-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]benzoate
Also Known As: Bionet1_003102, methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate, 9N-044, methyl 3-nitro-4-[4-(3-nitro-2-pyridinyl)piperazino]benzenecarboxylate, methyl3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate
| Molecular Formula | C17H17N5O6 |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 2.0112 |
| Topological Polar Surface Area | 131.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.1179 |
| Heavy Atoms | 28 |
| Complexity | 926.004 |
Chemical Identifiers
| CAS Number | 478246-52-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate (CAS 478246-52-5), with molecular formula C17H17N5O6 and molecular weight 387.12 g/mol. IUPAC: methyl 3-nitro-4-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]benzoate.
Chemical Property Profile of Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate
Property Insights of Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate
The XLogP value of 2.0112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate. The TPSA of 131.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate. Following Lipinski's Rule of Five, Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate has 0 hydrogen bond donor(s) and 9 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 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate?
The CAS number of Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate is 478246-52-5.
What is the molecular formula of Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate?
The molecular formula of Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate is C17H17N5O6.
What is the molecular weight of Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate?
The molecular weight of Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate is 387.12 g/mol.
Where can I buy Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate?
You can request a quote for Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-nitro-4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.