![[4-[3-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone structure](/static/products/956/956785-32-3.png)
[4-[3-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone
TL;DR: [4-[3-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone (CAS 956785-32-3) is a chemical compound with molecular formula C27H31ClN4O3 and molecular weight 494.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone
Also Known As: [4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone|[4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-chlorophenyl)methanone|(2-chlorophenyl){4-[4-nitro-3-(tricyclo[3.3.1.1~3,7~]dec-2-ylamino)phenyl]piperazin-1-yl}methanone
| Molecular Formula | C27H31ClN4O3 |
|---|---|
| Molecular Weight | 494.21 g/mol |
| LogP | 5.4472 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.20847 |
| Heavy Atoms | 35 |
| Complexity | 1118.9963 |
Chemical Identifiers
| CAS Number | 956785-32-3 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5)C(=O)C6=CC=CC=C6Cl |
Product Overview
[4-[3-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone (CAS 956785-32-3), with molecular formula C27H31ClN4O3 and molecular weight 494.21 g/mol. IUPAC: [4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone.
Chemical Property Profile of [4-[3-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone
Property Insights of [4-[3-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone
The XLogP value of 5.4472 indicates that [4-[3-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone 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-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone. Following Lipinski's Rule of Five, [4-[3-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone 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-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone?
The CAS number of [4-[3-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone is 956785-32-3.
What is the molecular formula of [4-[3-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone?
The molecular formula of [4-[3-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone is C27H31ClN4O3.
What is the molecular weight of [4-[3-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone?
The molecular weight of [4-[3-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone is 494.21 g/mol.
Where can I buy [4-[3-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone?
You can request a quote for [4-[3-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[3-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-[3-(2-Adamantylamino)-4-nitrophenyl]piperazin-1-yl]-(2-chlorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.