N,N-Diethyl-4-nitrobenzamide
TL;DR: N,N-Diethyl-4-nitrobenzamide (CAS 323-47-7) 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,N-diethyl-4-nitrobenzamide
Also Known As: N,N-DIETHYL-4-NITROBENZAMIDE, N,N-Diethyl-4-nitro-benzamide, diethyl 4-nitrobenzamide, N,N-diethyl-p-nitrobenzamide, Benzamide, N,N-diethyl-4-nitro-
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 323-47-7 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | JLZWKZDHHREXTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Diethyl-4-nitrobenzamide (CAS 323-47-7), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: N,N-diethyl-4-nitrobenzamide.
Chemical Property Profile of N,N-Diethyl-4-nitrobenzamide
Property Insights of N,N-Diethyl-4-nitrobenzamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethyl-4-nitrobenzamide. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Diethyl-4-nitrobenzamide. Following Lipinski's Rule of Five, N,N-Diethyl-4-nitrobenzamide has 0 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,N-Diethyl-4-nitrobenzamide?
The CAS number of N,N-Diethyl-4-nitrobenzamide is 323-47-7.
What is the molecular formula of N,N-Diethyl-4-nitrobenzamide?
The molecular formula of N,N-Diethyl-4-nitrobenzamide is C11H14N2O3.
What is the molecular weight of N,N-Diethyl-4-nitrobenzamide?
The molecular weight of N,N-Diethyl-4-nitrobenzamide is 222.10 g/mol.
Where can I buy N,N-Diethyl-4-nitrobenzamide?
You can request a quote for N,N-Diethyl-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,N-Diethyl-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethyl-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.