![3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one structure](/static/products/3321/332160-64-2.webp)
3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one
TL;DR: 3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one (CAS 332160-64-2) is a chemical compound with molecular formula C16H23N3O3 and molecular weight 305.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]butan-1-one
Also Known As: BAS 01234425, 1-{3-nitrobenzyl}-4-(3-methylbutanoyl)piperazine, 3-methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one, 3-methyl-1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]butan-1-one, 3-Methyl-1-[4-(3-nitro-benzyl)-piperazin-1-yl]-butan-1-one
| Molecular Formula | C16H23N3O3 |
|---|---|
| Molecular Weight | 305.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.17395 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 332160-64-2 |
|---|---|
| SMILES | CC(C)CC(=O)N1CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | XZSBDUSINWPOSM-UHFFFAOYSA-N |
Product Overview
3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one (CAS 332160-64-2), with molecular formula C16H23N3O3 and molecular weight 305.17 g/mol. IUPAC: 3-methyl-1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]butan-1-one.
Chemical Property Profile of 3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one
Property Insights of 3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one. Following Lipinski's Rule of Five, 3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one has 0 hydrogen bond donor(s) and 4 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 3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one?
The CAS number of 3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one is 332160-64-2.
What is the molecular formula of 3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one?
The molecular formula of 3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one is C16H23N3O3.
What is the molecular weight of 3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one?
The molecular weight of 3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one is 305.17 g/mol.
Where can I buy 3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one?
You can request a quote for 3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.