N-(tert-butyl)-2-nitrobenzamide
TL;DR: N-(tert-butyl)-2-nitrobenzamide (CAS 41225-78-9) 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-2-nitrobenzamide
Also Known As: N-(tert-butyl)-2-nitrobenzamide, N-tert-butyl-2-nitrobenzamide, N-tert-Butyl-2-nitro-benzamide, Benzamide, N-(1,1-dimethylethyl)-2-nitro-, BAS 00625509
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 1.2 |
| 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 | 278.0 |
Chemical Identifiers
| CAS Number | 41225-78-9 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | BMADOZDALQJUFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(tert-butyl)-2-nitrobenzamide (CAS 41225-78-9), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: N-tert-butyl-2-nitrobenzamide.
Chemical Property Profile of N-(tert-butyl)-2-nitrobenzamide
Property Insights of N-(tert-butyl)-2-nitrobenzamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-butyl)-2-nitrobenzamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(tert-butyl)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(tert-butyl)-2-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)-2-nitrobenzamide?
The CAS number of N-(tert-butyl)-2-nitrobenzamide is 41225-78-9.
What is the molecular formula of N-(tert-butyl)-2-nitrobenzamide?
The molecular formula of N-(tert-butyl)-2-nitrobenzamide is C11H14N2O3.
What is the molecular weight of N-(tert-butyl)-2-nitrobenzamide?
The molecular weight of N-(tert-butyl)-2-nitrobenzamide is 222.10 g/mol.
Where can I buy N-(tert-butyl)-2-nitrobenzamide?
You can request a quote for N-(tert-butyl)-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-(tert-butyl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butyl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.