3-nitro-N-(4-isopropylphenyl)-4-methylbenzamide
TL;DR: 3-nitro-N-(4-isopropylphenyl)-4-methylbenzamide (CAS 346720-76-1) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-nitro-N-(4-propan-2-ylphenyl)benzamide
Also Known As: 3-nitro-N-(4-isopropylphenyl)-4-methylbenzamide, 4-methyl-3-nitro-N-(4-propan-2-ylphenyl)benzamide, 4-methyl-3-nitro-N-[4-(propan-2-yl)phenyl]benzamide, N-[4-(methylethyl)phenyl](4-methyl-3-nitrophenyl)carboxamide
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 4.27892 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 706.34406 |
Chemical Identifiers
| CAS Number | 346720-76-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(C)C)[N+](=O)[O-] |
Product Overview
3-nitro-N-(4-isopropylphenyl)-4-methylbenzamide (CAS 346720-76-1), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: 4-methyl-3-nitro-N-(4-propan-2-ylphenyl)benzamide.
Chemical Property Profile of 3-nitro-N-(4-isopropylphenyl)-4-methylbenzamide
Property Insights of 3-nitro-N-(4-isopropylphenyl)-4-methylbenzamide
The XLogP value of 4.27892 indicates that 3-nitro-N-(4-isopropylphenyl)-4-methylbenzamide 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-nitro-N-(4-isopropylphenyl)-4-methylbenzamide. Following Lipinski's Rule of Five, 3-nitro-N-(4-isopropylphenyl)-4-methylbenzamide 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-nitro-N-(4-isopropylphenyl)-4-methylbenzamide?
The CAS number of 3-nitro-N-(4-isopropylphenyl)-4-methylbenzamide is 346720-76-1.
What is the molecular formula of 3-nitro-N-(4-isopropylphenyl)-4-methylbenzamide?
The molecular formula of 3-nitro-N-(4-isopropylphenyl)-4-methylbenzamide is C17H18N2O3.
What is the molecular weight of 3-nitro-N-(4-isopropylphenyl)-4-methylbenzamide?
The molecular weight of 3-nitro-N-(4-isopropylphenyl)-4-methylbenzamide is 298.13 g/mol.
Where can I buy 3-nitro-N-(4-isopropylphenyl)-4-methylbenzamide?
You can request a quote for 3-nitro-N-(4-isopropylphenyl)-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-N-(4-isopropylphenyl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-N-(4-isopropylphenyl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.