N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide
TL;DR: N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide (CAS 579441-17-1) is a chemical compound with molecular formula C21H28N4O3 and molecular weight 384.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-adamantyl)-3-nitro-4-piperazin-1-ylbenzamide
Also Known As: N-(2-adamantyl)-3-nitro-4-piperazin-1-ylbenzamide, N-(2-adamantyl)-3-nitro-4-piperazin-1-yl-benzamide, N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide, 3-nitro-4-(piperazin-1-yl)-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide, N-((1r,3r,5r,7r)-adamantan-2-yl)-3-nitro-4-(piperazin-1-yl)benzamide
| Molecular Formula | C21H28N4O3 |
|---|---|
| Molecular Weight | 384.22 g/mol |
| LogP | 2.5589 |
| Topological Polar Surface Area | 87.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.21616 |
| Heavy Atoms | 28 |
| Complexity | 761.8554 |
Chemical Identifiers
| CAS Number | 579441-17-1 |
|---|---|
| SMILES | C1CN(CCN1)C2=C(C=C(C=C2)C(=O)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-] |
Product Overview
N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide (CAS 579441-17-1), with molecular formula C21H28N4O3 and molecular weight 384.22 g/mol. IUPAC: N-(2-adamantyl)-3-nitro-4-piperazin-1-ylbenzamide.
Chemical Property Profile of N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide
Property Insights of N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide
The XLogP value of 2.5589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide. The TPSA of 87.51 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide. Following Lipinski's Rule of Five, N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide has 2 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-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide?
The CAS number of N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide is 579441-17-1.
What is the molecular formula of N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide?
The molecular formula of N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide is C21H28N4O3.
What is the molecular weight of N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide?
The molecular weight of N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide is 384.22 g/mol.
Where can I buy N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide?
You can request a quote for N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-Adamantan-2-yl-3-nitro-4-piperazin-1-yl-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.