N-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide
TL;DR: N-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide (CAS 545347-75-9) is a chemical compound with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide
Also Known As: N-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide, N-(2,6-diethylphenyl)-3-nitro-2-methylbenzamide, N-(2,6-diethylphenyl)(2-methyl-3-nitrophenyl)carboxamide
| Molecular Formula | C18H20N2O3 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 4.28032 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.1474 |
| Heavy Atoms | 23 |
| Complexity | 731.67706 |
Chemical Identifiers
| CAS Number | 545347-75-9 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C |
Product Overview
N-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide (CAS 545347-75-9), with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol. IUPAC: N-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide.
Chemical Property Profile of N-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide
Property Insights of N-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide
The XLogP value of 4.28032 indicates that N-(2,6-diethylphenyl)-2-methyl-3-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-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(2,6-diethylphenyl)-2-methyl-3-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-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide?
The CAS number of N-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide is 545347-75-9.
What is the molecular formula of N-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide?
The molecular formula of N-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide is C18H20N2O3.
What is the molecular weight of N-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide?
The molecular weight of N-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide is 312.15 g/mol.
Where can I buy N-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide?
You can request a quote for N-(2,6-diethylphenyl)-2-methyl-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-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,6-diethylphenyl)-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.