N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide
TL;DR: N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide (CAS 413619-38-2) is a chemical compound with molecular formula C21H16N4O6 and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide
Also Known As: N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide, 4-methyl-3,5-dinitro-N-{3-[(phenylcarbonyl)amino]phenyl}benzamide
| Molecular Formula | C21H16N4O6 |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 4.31602 |
| Topological Polar Surface Area | 144.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.107 |
| Heavy Atoms | 31 |
| Complexity | 1158.4792 |
Chemical Identifiers
| CAS Number | 413619-38-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide (CAS 413619-38-2), with molecular formula C21H16N4O6 and molecular weight 420.11 g/mol. IUPAC: N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide.
Chemical Property Profile of N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide
Property Insights of N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide
The XLogP value of 4.31602 indicates that N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.48 Ų indicates high polarity, suggesting N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide has 2 hydrogen bond donor(s) and 6 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-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide?
The CAS number of N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide is 413619-38-2.
What is the molecular formula of N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide?
The molecular formula of N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide is C21H16N4O6.
What is the molecular weight of N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide?
The molecular weight of N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide is 420.11 g/mol.
Where can I buy N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide?
You can request a quote for N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-benzamidophenyl)-4-methyl-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.