N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide
TL;DR: N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide (CAS 6158-59-4) is a chemical compound with molecular formula C15H11N3O3 and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide
Also Known As: N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide, N-(4-cyanophenyl)-3-methyl-2-nitro-benzamide
| Molecular Formula | C15H11N3O3 |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 3.0272 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.08005 |
| Heavy Atoms | 21 |
| Complexity | 745.74945 |
Chemical Identifiers
| CAS Number | 6158-59-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)NC2=CC=C(C=C2)C#N)[N+](=O)[O-] |
Product Overview
N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide (CAS 6158-59-4), with molecular formula C15H11N3O3 and molecular weight 281.08 g/mol. IUPAC: N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide.
Chemical Property Profile of N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide
Property Insights of N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide
The XLogP value of 3.0272 indicates that N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide has 1 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-(4-cyanophenyl)-3-methyl-2-nitrobenzamide?
The CAS number of N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide is 6158-59-4.
What is the molecular formula of N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide?
The molecular formula of N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide is C15H11N3O3.
What is the molecular weight of N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide?
The molecular weight of N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide is 281.08 g/mol.
Where can I buy N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide?
You can request a quote for N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-cyanophenyl)-3-methyl-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.