N-tert-Butyl-4-nitrobenzamide
TL;DR: N-tert-Butyl-4-nitrobenzamide (CAS 42498-30-6) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-4-nitrobenzamide
Also Known As: N-tert-Butyl-4-nitrobenzamide, N-tert-Butyl-4-nitro-benzamide, N-(tert-butyl)-4-nitrobenzamide, N-tert-Butyl-p-nitrobenzamide, N-t-butyl-4-nitrobenzamide
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 42498-30-6 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | FHLKNAGHERYTJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-tert-Butyl-4-nitrobenzamide (CAS 42498-30-6), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: N-tert-butyl-4-nitrobenzamide.
Chemical Property Profile of N-tert-Butyl-4-nitrobenzamide
Property Insights of N-tert-Butyl-4-nitrobenzamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-Butyl-4-nitrobenzamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-Butyl-4-nitrobenzamide. Following Lipinski's Rule of Five, N-tert-Butyl-4-nitrobenzamide has 1 hydrogen bond donor(s) and 3 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-tert-Butyl-4-nitrobenzamide?
The CAS number of N-tert-Butyl-4-nitrobenzamide is 42498-30-6.
What is the molecular formula of N-tert-Butyl-4-nitrobenzamide?
The molecular formula of N-tert-Butyl-4-nitrobenzamide is C11H14N2O3.
What is the molecular weight of N-tert-Butyl-4-nitrobenzamide?
The molecular weight of N-tert-Butyl-4-nitrobenzamide is 222.10 g/mol.
Where can I buy N-tert-Butyl-4-nitrobenzamide?
You can request a quote for N-tert-Butyl-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-Butyl-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-Butyl-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.