N-ethyl-4-nitrobenzamide
TL;DR: N-ethyl-4-nitrobenzamide (CAS 50445-50-6) is a chemical compound with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-nitrobenzamide
Also Known As: N-ethyl-4-nitrobenzamide, Benzamide, N-ethyl-4-nitro-, N-ethyl-4-nitro-benzamide, Benzamide,N-ethyl-4-nitro-, N-ethyl(4-nitrophenyl)carboxamide
| Molecular Formula | C9H10N2O3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.06914 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 50445-50-6 |
|---|---|
| SMILES | CCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | RZUZNEBLPIHWAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-ethyl-4-nitrobenzamide (CAS 50445-50-6), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: N-ethyl-4-nitrobenzamide.
Chemical Property Profile of N-ethyl-4-nitrobenzamide
Property Insights of N-ethyl-4-nitrobenzamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-4-nitrobenzamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-ethyl-4-nitrobenzamide. Following Lipinski's Rule of Five, N-ethyl-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-ethyl-4-nitrobenzamide?
The CAS number of N-ethyl-4-nitrobenzamide is 50445-50-6.
What is the molecular formula of N-ethyl-4-nitrobenzamide?
The molecular formula of N-ethyl-4-nitrobenzamide is C9H10N2O3.
What is the molecular weight of N-ethyl-4-nitrobenzamide?
The molecular weight of N-ethyl-4-nitrobenzamide is 194.07 g/mol.
Where can I buy N-ethyl-4-nitrobenzamide?
You can request a quote for N-ethyl-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-ethyl-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.