N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide
TL;DR: N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide (CAS 58338-55-9) is a chemical compound with molecular formula C13H7N5O9 and molecular weight 377.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide
Also Known As: N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide, BAS 00001920, N-(3,5-Dinitro-phenyl)-3,5-dinitro-benzamide, RefChem:361136
| Molecular Formula | C13H7N5O9 |
|---|---|
| Molecular Weight | 377.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.02438 |
| Heavy Atoms | 27 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 58338-55-9 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MDVCUXQIKDIHNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide (CAS 58338-55-9), with molecular formula C13H7N5O9 and molecular weight 377.02 g/mol. IUPAC: N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide.
Chemical Property Profile of N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide
Property Insights of N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide. The TPSA of 212.0 Ų indicates high polarity, suggesting N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide has 1 hydrogen bond donor(s) and 9 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-(3,5-dinitrophenyl)-3,5-dinitrobenzamide?
The CAS number of N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide is 58338-55-9.
What is the molecular formula of N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide?
The molecular formula of N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide is C13H7N5O9.
What is the molecular weight of N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide?
The molecular weight of N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide is 377.02 g/mol.
Where can I buy N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide?
You can request a quote for N-(3,5-dinitrophenyl)-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-(3,5-dinitrophenyl)-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-dinitrophenyl)-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.