N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide
TL;DR: N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide (CAS 524034-45-5) is a chemical compound with molecular formula C24H34N4O3 and molecular weight 426.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
Also Known As: N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide, N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide, N-(3,5-dimethyltricyclo[3.3.1.1~3,7~]dec-1-yl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide, N-((1r,3R,5S,7r)-3,5-dimethyladamantan-1-yl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
| Molecular Formula | C24H34N4O3 |
|---|---|
| Molecular Weight | 426.26 g/mol |
| LogP | 3.8254 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.2631 |
| Heavy Atoms | 31 |
| Complexity | 905.39954 |
Chemical Identifiers
| CAS Number | 524034-45-5 |
|---|---|
| SMILES | CC12CC3CC(C1)(CC(C3)(C2)NC(=O)C4=CC(=C(C=C4)N5CCN(CC5)C)[N+](=O)[O-])C |
Product Overview
N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide (CAS 524034-45-5), with molecular formula C24H34N4O3 and molecular weight 426.26 g/mol. IUPAC: N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide.
Chemical Property Profile of N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide
Property Insights of N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide
The XLogP value of 3.8254 indicates that N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide 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 N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide. Following Lipinski's Rule of Five, N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide has 1 hydrogen bond donor(s) and 5 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-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide?
The CAS number of N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide is 524034-45-5.
What is the molecular formula of N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide?
The molecular formula of N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide is C24H34N4O3.
What is the molecular weight of N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide?
The molecular weight of N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide is 426.26 g/mol.
Where can I buy N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide?
You can request a quote for N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-dimethyl-1-adamantyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.