N-(2-adamantyl)-3-methyl-4-nitrobenzamide
TL;DR: N-(2-adamantyl)-3-methyl-4-nitrobenzamide (CAS 431920-42-2) is a chemical compound with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-adamantyl)-3-methyl-4-nitrobenzamide
Also Known As: N-(2-adamantyl)-3-methyl-4-nitrobenzamide, AB00116506-01, 3-methyl-4-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide
| Molecular Formula | C18H22N2O3 |
|---|---|
| Molecular Weight | 314.16 g/mol |
| LogP | 3.45772 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.16306 |
| Heavy Atoms | 23 |
| Complexity | 642.2306 |
Chemical Identifiers
| CAS Number | 431920-42-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2C3CC4CC(C3)CC2C4)[N+](=O)[O-] |
Product Overview
N-(2-adamantyl)-3-methyl-4-nitrobenzamide (CAS 431920-42-2), with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol. IUPAC: N-(2-adamantyl)-3-methyl-4-nitrobenzamide.
Chemical Property Profile of N-(2-adamantyl)-3-methyl-4-nitrobenzamide
Property Insights of N-(2-adamantyl)-3-methyl-4-nitrobenzamide
The XLogP value of 3.45772 indicates that N-(2-adamantyl)-3-methyl-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-adamantyl)-3-methyl-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(2-adamantyl)-3-methyl-4-nitrobenzamide has 1 hydrogen bond donor(s) and 3 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)-3-methyl-4-nitrobenzamide?
The CAS number of N-(2-adamantyl)-3-methyl-4-nitrobenzamide is 431920-42-2.
What is the molecular formula of N-(2-adamantyl)-3-methyl-4-nitrobenzamide?
The molecular formula of N-(2-adamantyl)-3-methyl-4-nitrobenzamide is C18H22N2O3.
What is the molecular weight of N-(2-adamantyl)-3-methyl-4-nitrobenzamide?
The molecular weight of N-(2-adamantyl)-3-methyl-4-nitrobenzamide is 314.16 g/mol.
Where can I buy N-(2-adamantyl)-3-methyl-4-nitrobenzamide?
You can request a quote for N-(2-adamantyl)-3-methyl-4-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)-3-methyl-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-adamantyl)-3-methyl-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.