3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide
TL;DR: 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide (CAS 445006-61-1) 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.
3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide
Also Known As: 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide, 4-nitro-N-(2-isopropyl-6-methylphenyl)-3-methylbenzamide, 3-methyl-N-[2-methyl-6-(propan-2-yl)phenyl]-4-nitrobenzamide, N-[6-methyl-2-(methylethyl)phenyl](3-methyl-4-nitrophenyl)carboxamide
| Molecular Formula | C18H20N2O3 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 4.58734 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.1474 |
| Heavy Atoms | 23 |
| Complexity | 766.8572 |
Chemical Identifiers
| CAS Number | 445006-61-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C |
Product Overview
3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide (CAS 445006-61-1), with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol. IUPAC: 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide.
Chemical Property Profile of 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide
Property Insights of 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide
The XLogP value of 4.58734 indicates that 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-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 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-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 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide?
The CAS number of 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide is 445006-61-1.
What is the molecular formula of 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide?
The molecular formula of 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide is C18H20N2O3.
What is the molecular weight of 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide?
The molecular weight of 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide is 312.15 g/mol.
Where can I buy 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide?
You can request a quote for 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.