![4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone structure](/static/products/2953/295313-66-5.webp)
4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone
TL;DR: 4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone (CAS 295313-66-5) is a chemical compound with molecular formula C29H35ClN4O3 and molecular weight 522.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(4-chlorophenyl)methanone
Also Known As: A2293/0096598, [4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(4-chlorophenyl)methanone, 4-{3-[(adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone, N-[1-(ADAMANTAN-1-YL)ETHYL]-5-[4-(4-CHLOROBENZOYL)PIPERAZIN-1-YL]-2-NITROANILINE, (4-(3-((1-(adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-chlorophenyl)methanone
| Molecular Formula | C29H35ClN4O3 |
|---|---|
| Molecular Weight | 522.24 g/mol |
| LogP | 6.2274 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.23975 |
| Heavy Atoms | 37 |
| Complexity | 1156.8538 |
Chemical Identifiers
| CAS Number | 295313-66-5 |
|---|---|
| SMILES | CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)C(=O)C6=CC=C(C=C6)Cl)[N+](=O)[O-] |
Product Overview
4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone (CAS 295313-66-5), with molecular formula C29H35ClN4O3 and molecular weight 522.24 g/mol. IUPAC: [4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(4-chlorophenyl)methanone.
Chemical Property Profile of 4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone
Property Insights of 4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone
The XLogP value of 6.2274 indicates that 4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone 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 4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone. Following Lipinski's Rule of Five, 4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone 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 4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone?
The CAS number of 4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone is 295313-66-5.
What is the molecular formula of 4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone?
The molecular formula of 4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone is C29H35ClN4O3.
What is the molecular weight of 4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone?
The molecular weight of 4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone is 522.24 g/mol.
Where can I buy 4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone?
You can request a quote for 4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 4-{3-[(Adamantanylethyl)amino]-4-nitrophenyl}piperazinyl 4-chlorophenyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.