N-tert-butyl-3,5-dinitrobenzamide
TL;DR: N-tert-butyl-3,5-dinitrobenzamide (CAS 14402-04-1) is a chemical compound with molecular formula C11H13N3O5 and molecular weight 267.0855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-tert-butyl-3,5-dinitrobenzamide
Also Known As: N-tert-butyl-3,5-dinitrobenzamide, N-tert-Butyl-3,5-dinitro-benzamide, N-(tert-butyl)-3,5-dinitrobenzamide, N-(tert-butyl)(3,5-dinitrophenyl)carboxamide
Technical Specifications
| Molecular Formula | C11H13N3O5 |
| Molecular Weight | 267.0855 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.0855 Da |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
| SMILES | CC(C)(C)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KCZDERJVEZZOKP-UHFFFAOYSA-N |
Chemical Property Profile of N-tert-butyl-3,5-dinitrobenzamide
Property Insights of N-tert-butyl-3,5-dinitrobenzamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-3,5-dinitrobenzamide. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-butyl-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, N-tert-butyl-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
What is the CAS number of N-tert-butyl-3,5-dinitrobenzamide?
The CAS number of N-tert-butyl-3,5-dinitrobenzamide is 14402-04-1.
What is the molecular formula of N-tert-butyl-3,5-dinitrobenzamide?
The molecular formula of N-tert-butyl-3,5-dinitrobenzamide is C11H13N3O5.
What is the molecular weight of N-tert-butyl-3,5-dinitrobenzamide?
The molecular weight of N-tert-butyl-3,5-dinitrobenzamide is 267.0855 g/mol.
Where can I buy N-tert-butyl-3,5-dinitrobenzamide?
You can request a quote for N-tert-butyl-3,5-dinitrobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-tert-butyl-3,5-dinitrobenzamide?
Yes, CoreyChem provides custom synthesis services for N-tert-butyl-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.