1,2-Dinitroacridine
TL;DR: 1,2-Dinitroacridine (CAS 5453-77-0) is a chemical compound with molecular formula C13H7N3O4 and molecular weight 269.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dinitroacridine
Also Known As: 1,2-dinitroacridine, Dinitroacridine, Acridine, dinitro-, Acridine, dinitro-(9CI), KST-1B5340
| Molecular Formula | C13H7N3O4 |
|---|---|
| Molecular Weight | 269.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 269.04367 |
| Heavy Atoms | 20 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 5453-77-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C(=N2)C=CC(=C3[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QIUGUNHEXAZYIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Dinitroacridine (CAS 5453-77-0), with molecular formula C13H7N3O4 and molecular weight 269.04 g/mol. IUPAC: 1,2-dinitroacridine.
Chemical Property Profile of 1,2-Dinitroacridine
Property Insights of 1,2-Dinitroacridine
The XLogP value of 3.2 indicates that 1,2-Dinitroacridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dinitroacridine. Following Lipinski's Rule of Five, 1,2-Dinitroacridine 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 1,2-Dinitroacridine?
The CAS number of 1,2-Dinitroacridine is 5453-77-0.
What is the molecular formula of 1,2-Dinitroacridine?
The molecular formula of 1,2-Dinitroacridine is C13H7N3O4.
What is the molecular weight of 1,2-Dinitroacridine?
The molecular weight of 1,2-Dinitroacridine is 269.04 g/mol.
Where can I buy 1,2-Dinitroacridine?
You can request a quote for 1,2-Dinitroacridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dinitroacridine?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dinitroacridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.