N-ethyl-3,5-dinitro-benzamide
TL;DR: N-ethyl-3,5-dinitro-benzamide (CAS 59476-54-9) is a chemical compound with molecular formula C9H9N3O5 and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-3,5-dinitrobenzamide
Also Known As: N-ethyl-3,5-dinitro-benzamide, N-ethyl-3,5-dinitrobenzamide, Benzamide, N-ethyl-3,5-dinitro-
| Molecular Formula | C9H9N3O5 |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 1.2527 |
| Topological Polar Surface Area | 115.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.05421 |
| Heavy Atoms | 17 |
| Complexity | 453.2697 |
Chemical Identifiers
| CAS Number | 59476-54-9 |
|---|---|
| SMILES | CCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-ethyl-3,5-dinitro-benzamide (CAS 59476-54-9), with molecular formula C9H9N3O5 and molecular weight 239.05 g/mol. IUPAC: N-ethyl-3,5-dinitrobenzamide.
Chemical Property Profile of N-ethyl-3,5-dinitro-benzamide
Property Insights of N-ethyl-3,5-dinitro-benzamide
The XLogP value of 1.2527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-3,5-dinitro-benzamide. The TPSA of 115.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-ethyl-3,5-dinitro-benzamide. Following Lipinski's Rule of Five, N-ethyl-3,5-dinitro-benzamide 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
Frequently Asked Questions
What is the CAS number of N-ethyl-3,5-dinitro-benzamide?
The CAS number of N-ethyl-3,5-dinitro-benzamide is 59476-54-9.
What is the molecular formula of N-ethyl-3,5-dinitro-benzamide?
The molecular formula of N-ethyl-3,5-dinitro-benzamide is C9H9N3O5.
What is the molecular weight of N-ethyl-3,5-dinitro-benzamide?
The molecular weight of N-ethyl-3,5-dinitro-benzamide is 239.05 g/mol.
Where can I buy N-ethyl-3,5-dinitro-benzamide?
You can request a quote for N-ethyl-3,5-dinitro-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-3,5-dinitro-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-3,5-dinitro-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.