![1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone structure](/static/products/662/662163-52-2.png)
1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone
TL;DR: 1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone (CAS 662163-52-2) is a chemical compound with molecular formula C30H38N4O3 and molecular weight 502.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-2-phenylethanone
Also Known As: 1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone, 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitro-phenyl]piperazin-1-yl]-2-phenyl-ethanone, 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-2-phenylethanone, 1-(4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)-2-phenylethanone
| Molecular Formula | C30H38N4O3 |
|---|---|
| Molecular Weight | 502.29 g/mol |
| LogP | 5.5029 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.2944 |
| Heavy Atoms | 37 |
| Complexity | 1123.3872 |
Chemical Identifiers
| CAS Number | 662163-52-2 |
|---|---|
| SMILES | CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)C(=O)CC6=CC=CC=C6)[N+](=O)[O-] |
Product Overview
1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone (CAS 662163-52-2), with molecular formula C30H38N4O3 and molecular weight 502.29 g/mol. IUPAC: 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-2-phenylethanone.
Chemical Property Profile of 1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone
Property Insights of 1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone
The XLogP value of 5.5029 indicates that 1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone 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-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone. Following Lipinski's Rule of Five, 1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone?
The CAS number of 1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone is 662163-52-2.
What is the molecular formula of 1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone?
The molecular formula of 1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone is C30H38N4O3.
What is the molecular weight of 1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone?
The molecular weight of 1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone is 502.29 g/mol.
Where can I buy 1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone?
You can request a quote for 1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone 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-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-2-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.