![N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide structure](/static/products/956/956741-23-4.png)
N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide
TL;DR: N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide (CAS 956741-23-4) is a chemical compound with molecular formula C27H31FN4O5S and molecular weight 542.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide
Also Known As: N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide, N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide, 4-{4-[(4-fluorophenyl)sulfonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide
| Molecular Formula | C27H31FN4O5S |
|---|---|
| Molecular Weight | 542.20 g/mol |
| LogP | 3.7993 |
| Topological Polar Surface Area | 112.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 542.1999 |
| Heavy Atoms | 38 |
| Complexity | 1330.023 |
Chemical Identifiers
| CAS Number | 956741-23-4 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-])S(=O)(=O)C6=CC=C(C=C6)F |
Product Overview
N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide (CAS 956741-23-4), with molecular formula C27H31FN4O5S and molecular weight 542.20 g/mol. IUPAC: N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide.
Chemical Property Profile of N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide
Property Insights of N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide
The XLogP value of 3.7993 indicates that N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.86 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide?
The CAS number of N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide is 956741-23-4.
What is the molecular formula of N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide?
The molecular formula of N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide is C27H31FN4O5S.
What is the molecular weight of N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide?
The molecular weight of N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide is 542.20 g/mol.
Where can I buy N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide?
You can request a quote for N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-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-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.