3,5-dinitro-N-phenylbenzamide
TL;DR: 3,5-dinitro-N-phenylbenzamide (CAS 7461-51-0) is a chemical compound with molecular formula C13H9N3O5 and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-N-phenylbenzamide
Also Known As: 3,5-dinitro-N-phenylbenzamide, 3,5-Dinitrobenzanilide, 3,5-Dinitro-N-phenyl-benzamide, Benzamide,5-dinitro-N-phenyl-, N-Phenyl-3,5-dinitrobenzamide
| Molecular Formula | C13H9N3O5 |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.05423 |
| Heavy Atoms | 21 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 7461-51-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JNIVGHFBGSNDHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-dinitro-N-phenylbenzamide (CAS 7461-51-0), with molecular formula C13H9N3O5 and molecular weight 287.05 g/mol. IUPAC: 3,5-dinitro-N-phenylbenzamide.
Chemical Property Profile of 3,5-dinitro-N-phenylbenzamide
Property Insights of 3,5-dinitro-N-phenylbenzamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dinitro-N-phenylbenzamide. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dinitro-N-phenylbenzamide. Following Lipinski's Rule of Five, 3,5-dinitro-N-phenylbenzamide 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 3,5-dinitro-N-phenylbenzamide?
The CAS number of 3,5-dinitro-N-phenylbenzamide is 7461-51-0.
What is the molecular formula of 3,5-dinitro-N-phenylbenzamide?
The molecular formula of 3,5-dinitro-N-phenylbenzamide is C13H9N3O5.
What is the molecular weight of 3,5-dinitro-N-phenylbenzamide?
The molecular weight of 3,5-dinitro-N-phenylbenzamide is 287.05 g/mol.
Where can I buy 3,5-dinitro-N-phenylbenzamide?
You can request a quote for 3,5-dinitro-N-phenylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dinitro-N-phenylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dinitro-N-phenylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.