![N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine structure](/static/products/642/642430-79-3.png)
N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine
TL;DR: N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine (CAS 642430-79-3) is a chemical compound with molecular formula C21H30N4O4S and molecular weight 434.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]adamantan-2-amine
Also Known As: N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine, N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]adamantan-2-amine, (1r,3r,5r,7r)-N-(5-(4-(methylsulfonyl)piperazin-1-yl)-2-nitrophenyl)adamantan-2-amine, N-{5-[4-(methylsulfonyl)piperazin-1-yl]-2-nitrophenyl}tricyclo[3.3.1.1~3,7~]decan-2-amine
| Molecular Formula | C21H30N4O4S |
|---|---|
| Molecular Weight | 434.20 g/mol |
| LogP | 2.913 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.1988 |
| Heavy Atoms | 30 |
| Complexity | 914.32477 |
Chemical Identifiers
| CAS Number | 642430-79-3 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5 |
Product Overview
N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine (CAS 642430-79-3), with molecular formula C21H30N4O4S and molecular weight 434.20 g/mol. IUPAC: N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]adamantan-2-amine.
Chemical Property Profile of N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine
Property Insights of N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine
The XLogP value of 2.913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine. The TPSA of 95.79 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine. Following Lipinski's Rule of Five, N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine has 1 hydrogen bond donor(s) and 6 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 N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine?
The CAS number of N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine is 642430-79-3.
What is the molecular formula of N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine?
The molecular formula of N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine is C21H30N4O4S.
What is the molecular weight of N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine?
The molecular weight of N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine is 434.20 g/mol.
Where can I buy N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine?
You can request a quote for N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.