![1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one structure](/static/products/839/839697-30-2.png)
1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one
TL;DR: 1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one (CAS 839697-30-2) is a chemical compound with molecular formula C15H21N3O4 and molecular weight 307.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one
Also Known As: 1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one, 1-[4-(4-methoxy-2-nitrophenyl)piperazinyl]butan-1-one
| Molecular Formula | C15H21N3O4 |
|---|---|
| Molecular Weight | 307.15 g/mol |
| LogP | 2.0521 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.1532 |
| Heavy Atoms | 22 |
| Complexity | 553.71857 |
Chemical Identifiers
| CAS Number | 839697-30-2 |
|---|---|
| SMILES | CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)OC)[N+](=O)[O-] |
Product Overview
1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one (CAS 839697-30-2), with molecular formula C15H21N3O4 and molecular weight 307.15 g/mol. IUPAC: 1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one.
Chemical Property Profile of 1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one
Property Insights of 1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one
The XLogP value of 2.0521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one. Following Lipinski's Rule of Five, 1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one has 0 hydrogen bond donor(s) and 5 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 1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one?
The CAS number of 1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one is 839697-30-2.
What is the molecular formula of 1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one?
The molecular formula of 1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one is C15H21N3O4.
What is the molecular weight of 1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one?
The molecular weight of 1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one is 307.15 g/mol.
Where can I buy 1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one?
You can request a quote for 1-[4-(4-Methoxy-2-nitrophenyl)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 1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(4-Methoxy-2-nitrophenyl)piperazin-1-yl]butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.