![Methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate structure](/static/products/3299/329932-40-3.webp)
Methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate
TL;DR: Methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate (CAS 329932-40-3) is a chemical compound with molecular formula C19H18N4O7 and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate
Also Known As: BAS 00856822, methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate, methyl 3-nitro-5-[(4-{4-nitrophenyl}-1-piperazinyl)carbonyl]benzoate, 3-Nitro-5-[4-(4-nitro-phenyl)-piperazine-1-carbonyl]-benzoic acid methyl ester, methyl 5-nitro-3-{[4-(4-nitrophenyl)piperazinyl]carbonyl}benzoate
| Molecular Formula | C19H18N4O7 |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 2.252 |
| Topological Polar Surface Area | 136.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.11755 |
| Heavy Atoms | 30 |
| Complexity | 998.44257 |
Chemical Identifiers
| CAS Number | 329932-40-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate (CAS 329932-40-3), with molecular formula C19H18N4O7 and molecular weight 414.12 g/mol. IUPAC: methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate.
Chemical Property Profile of Methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate
Property Insights of Methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate
The XLogP value of 2.252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate. The TPSA of 136.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate. Following Lipinski's Rule of Five, Methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate has 0 hydrogen bond donor(s) and 8 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-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate?
The CAS number of Methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate is 329932-40-3.
What is the molecular formula of Methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate?
The molecular formula of Methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate is C19H18N4O7.
What is the molecular weight of Methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate?
The molecular weight of Methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate is 414.12 g/mol.
Where can I buy Methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate?
You can request a quote for Methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]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-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-nitro-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.