![4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide structure](/static/products/956/956263-92-6.png)
4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide
TL;DR: 4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide (CAS 956263-92-6) is a chemical compound with molecular formula C29H34N4O4 and molecular weight 502.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-adamantyl)-4-[4-(3-methylbenzoyl)piperazin-1-yl]-3-nitrobenzamide
Also Known As: 4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide, N-(2-adamantyl)-4-[4-(3-methylbenzoyl)piperazin-1-yl]-3-nitro-benzamide, N-(2-adamantyl)-4-[4-(3-methylbenzoyl)piperazin-1-yl]-3-nitrobenzamide, N-((1r,3r,5r,7r)-adamantan-2-yl)-4-(4-(3-methylbenzoyl)piperazin-1-yl)-3-nitrobenzamide
| Molecular Formula | C29H34N4O4 |
|---|---|
| Molecular Weight | 502.26 g/mol |
| LogP | 4.42012 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 502.258 |
| Heavy Atoms | 37 |
| Complexity | 1208.1625 |
Chemical Identifiers
| CAS Number | 956263-92-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4C5CC6CC(C5)CC4C6)[N+](=O)[O-] |
Product Overview
4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide (CAS 956263-92-6), with molecular formula C29H34N4O4 and molecular weight 502.26 g/mol. IUPAC: N-(2-adamantyl)-4-[4-(3-methylbenzoyl)piperazin-1-yl]-3-nitrobenzamide.
Chemical Property Profile of 4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide
Property Insights of 4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide
The XLogP value of 4.42012 indicates that 4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide. Following Lipinski's Rule of Five, 4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide?
The CAS number of 4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide is 956263-92-6.
What is the molecular formula of 4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide?
The molecular formula of 4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide is C29H34N4O4.
What is the molecular weight of 4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide?
The molecular weight of 4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide is 502.26 g/mol.
Where can I buy 4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide?
You can request a quote for 4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.