N-(2-hydroxy-ethyl)-3,5-dinitro-benzamide
TL;DR: N-(2-hydroxy-ethyl)-3,5-dinitro-benzamide (CAS 79883-94-6) is a chemical compound with molecular formula C9H9N3O6 and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-hydroxyethyl)-3,5-dinitrobenzamide
Also Known As: N-(2-hydroxyethyl)-3,5-dinitrobenzamide, N-(2-hydroxyethyl)-3,5-dinitro-benzamide, n-(2-hydroxy-ethyl)-3,5-dinitro-benzamide, Benzamide, N-(2-hydroxyethyl)-3,5-dinitro-, N-(2-Hydroxy-ethyl)-3,5-dinitro-benzamide (7)
| Molecular Formula | C9H9N3O6 |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.04913 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 79883-94-6 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCO |
| InChIKey | NILNWUDZHARBRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-hydroxy-ethyl)-3,5-dinitro-benzamide (CAS 79883-94-6), with molecular formula C9H9N3O6 and molecular weight 255.05 g/mol. IUPAC: N-(2-hydroxyethyl)-3,5-dinitrobenzamide.
Chemical Property Profile of N-(2-hydroxy-ethyl)-3,5-dinitro-benzamide
Property Insights of N-(2-hydroxy-ethyl)-3,5-dinitro-benzamide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-hydroxy-ethyl)-3,5-dinitro-benzamide. The TPSA of 141.0 Ų indicates high polarity, suggesting N-(2-hydroxy-ethyl)-3,5-dinitro-benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-hydroxy-ethyl)-3,5-dinitro-benzamide has 2 hydrogen bond donor(s) and 6 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-(2-hydroxy-ethyl)-3,5-dinitro-benzamide?
The CAS number of N-(2-hydroxy-ethyl)-3,5-dinitro-benzamide is 79883-94-6.
What is the molecular formula of N-(2-hydroxy-ethyl)-3,5-dinitro-benzamide?
The molecular formula of N-(2-hydroxy-ethyl)-3,5-dinitro-benzamide is C9H9N3O6.
What is the molecular weight of N-(2-hydroxy-ethyl)-3,5-dinitro-benzamide?
The molecular weight of N-(2-hydroxy-ethyl)-3,5-dinitro-benzamide is 255.05 g/mol.
Where can I buy N-(2-hydroxy-ethyl)-3,5-dinitro-benzamide?
You can request a quote for N-(2-hydroxy-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-(2-hydroxy-ethyl)-3,5-dinitro-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-hydroxy-ethyl)-3,5-dinitro-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.