N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide
TL;DR: N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide (CAS 76187-27-4) is a chemical compound with molecular formula C15H19N3O5 and molecular weight 321.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide
Also Known As: N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide, BAS 00623604, N-Cyclohexyl-N-ethyl-3,5-dinitro-benzamide, (3,5-dinitrophenyl)-N-cyclohexyl-N-ethylcarboxamide
| Molecular Formula | C15H19N3O5 |
|---|---|
| Molecular Weight | 321.13 g/mol |
| LogP | 3.2978 |
| Topological Polar Surface Area | 106.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.13248 |
| Heavy Atoms | 23 |
| Complexity | 593.2884 |
Chemical Identifiers
| CAS Number | 76187-27-4 |
|---|---|
| SMILES | CCN(C1CCCCC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide (CAS 76187-27-4), with molecular formula C15H19N3O5 and molecular weight 321.13 g/mol. IUPAC: N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide.
Chemical Property Profile of N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide
Property Insights of N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide
The XLogP value of 3.2978 indicates that N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide has 0 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-cyclohexyl-N-ethyl-3,5-dinitrobenzamide?
The CAS number of N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide is 76187-27-4.
What is the molecular formula of N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide?
The molecular formula of N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide is C15H19N3O5.
What is the molecular weight of N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide?
The molecular weight of N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide is 321.13 g/mol.
Where can I buy N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide?
You can request a quote for N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.