N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide
TL;DR: N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide (CAS 282091-62-7) is a chemical compound with molecular formula C15H13N3O5 and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide
Also Known As: N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide, BAS 00001882, N-(2,6-Dimethyl-phenyl)-3,5-dinitro-benzamide, F1084-0451
| Molecular Formula | C15H13N3O5 |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.0855 |
| Heavy Atoms | 23 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 282091-62-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XEPIARCDWAETPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide (CAS 282091-62-7), with molecular formula C15H13N3O5 and molecular weight 315.09 g/mol. IUPAC: N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide.
Chemical Property Profile of N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide
Property Insights of N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide has 1 hydrogen bond donor(s) and 5 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-(2,6-dimethylphenyl)-3,5-dinitrobenzamide?
The CAS number of N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide is 282091-62-7.
What is the molecular formula of N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide?
The molecular formula of N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide is C15H13N3O5.
What is the molecular weight of N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide?
The molecular weight of N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide is 315.09 g/mol.
Where can I buy N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide?
You can request a quote for N-(2,6-dimethylphenyl)-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-(2,6-dimethylphenyl)-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.