N-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide
TL;DR: N-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide (CAS 550306-96-2) is a chemical compound with molecular formula C15H12N4O3 and molecular weight 296.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1H-benzimidazol-2-yl)-4-methyl-3-nitrobenzamide
Also Known As: N-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide, N-(1H-benzimidazol-2-yl)-4-methyl-3-nitrobenzamide, N-(1H-benzo[d]imidazol-2-yl)-4-methyl-3-nitrobenzamide, N-(1H-benzoimidazol-2-yl)-4-methyl-3-nitro-benzamide, N-benzimidazol-2-yl(4-methyl-3-nitrophenyl)carboxamide
| Molecular Formula | C15H12N4O3 |
|---|---|
| Molecular Weight | 296.09 g/mol |
| LogP | 3.03182 |
| Topological Polar Surface Area | 100.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.09094 |
| Heavy Atoms | 22 |
| Complexity | 852.3799 |
Chemical Identifiers
| CAS Number | 550306-96-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2)[N+](=O)[O-] |
Product Overview
N-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide (CAS 550306-96-2), with molecular formula C15H12N4O3 and molecular weight 296.09 g/mol. IUPAC: N-(1H-benzimidazol-2-yl)-4-methyl-3-nitrobenzamide.
Chemical Property Profile of N-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide
Property Insights of N-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide
The XLogP value of 3.03182 indicates that N-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide has 2 hydrogen bond donor(s) and 4 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-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide?
The CAS number of N-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide is 550306-96-2.
What is the molecular formula of N-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide?
The molecular formula of N-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide is C15H12N4O3.
What is the molecular weight of N-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide?
The molecular weight of N-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide is 296.09 g/mol.
Where can I buy N-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide?
You can request a quote for N-(1H-1,3-benzodiazol-2-yl)-4-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-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-1,3-benzodiazol-2-yl)-4-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.