![1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone structure](/static/products/593/593237-82-2.png)
1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone
TL;DR: 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone (CAS 593237-82-2) is a chemical compound with molecular formula C22H30N4O3 and molecular weight 398.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone
Also Known As: 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone, 1-{4-[4-nitro-3-(tricyclo[3.3.1.1~3,7~]dec-2-ylamino)phenyl]piperazin-1-yl}ethanone, 1-(4-(3-((1r,3r,5r,7r)-adamantan-2-ylamino)-4-nitrophenyl)piperazin-1-yl)ethanone
| Molecular Formula | C22H30N4O3 |
|---|---|
| Molecular Weight | 398.23 g/mol |
| LogP | 3.4999 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.23178 |
| Heavy Atoms | 29 |
| Complexity | 790.27545 |
Chemical Identifiers
| CAS Number | 593237-82-2 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5 |
Product Overview
1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone (CAS 593237-82-2), with molecular formula C22H30N4O3 and molecular weight 398.23 g/mol. IUPAC: 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone.
Chemical Property Profile of 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone
Property Insights of 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone
The XLogP value of 3.4999 indicates that 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone. Following Lipinski's Rule of Five, 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone has 1 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-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone?
The CAS number of 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone is 593237-82-2.
What is the molecular formula of 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone?
The molecular formula of 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone is C22H30N4O3.
What is the molecular weight of 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone?
The molecular weight of 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone is 398.23 g/mol.
Where can I buy 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone?
You can request a quote for 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.