N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide
TL;DR: N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide (CAS 642429-92-3) is a chemical compound with molecular formula C22H30N4O5S and molecular weight 462.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide
Also Known As: N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide, N-2-adamantyl-4-[4-(methylsulfonyl)-1-piperazinyl]-3-nitrobenzamide, 4-[4-(methylsulfonyl)piperazin-1-yl]-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide, Cambridge id 7355824
| Molecular Formula | C22H30N4O5S |
|---|---|
| Molecular Weight | 462.19 g/mol |
| LogP | 2.2309 |
| Topological Polar Surface Area | 112.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.1937 |
| Heavy Atoms | 32 |
| Complexity | 1006.75684 |
Chemical Identifiers
| CAS Number | 642429-92-3 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-] |
Product Overview
N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide (CAS 642429-92-3), with molecular formula C22H30N4O5S and molecular weight 462.19 g/mol. IUPAC: N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide.
Chemical Property Profile of N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide
Property Insights of N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide
The XLogP value of 2.2309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide. The TPSA of 112.86 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide 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-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide?
The CAS number of N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide is 642429-92-3.
What is the molecular formula of N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide?
The molecular formula of N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide is C22H30N4O5S.
What is the molecular weight of N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide?
The molecular weight of N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide is 462.19 g/mol.
Where can I buy N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide?
You can request a quote for N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.