5,6-Dinitroacenaphthene
TL;DR: 5,6-Dinitroacenaphthene (CAS 4406-87-5) is a chemical compound with molecular formula C12H8N2O4 and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dinitro-1,2-dihydroacenaphthylene
Also Known As: 5,6-Dinitroacenaphthene, 5,6-Dinitro-acenaphthene, 5,6-Dinitro-1,2-dihydroacenaphthylene, Acenaphthene,6-dinitro-, Acenaphthene, 5,6-dinitro-
| Molecular Formula | C12H8N2O4 |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.0484 |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 4406-87-5 |
|---|---|
| SMILES | C1CC2=CC=C(C3=C(C=CC1=C23)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FIXNUWGGLHPMGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-Dinitroacenaphthene (CAS 4406-87-5), with molecular formula C12H8N2O4 and molecular weight 244.05 g/mol. IUPAC: 5,6-dinitro-1,2-dihydroacenaphthylene.
Chemical Property Profile of 5,6-Dinitroacenaphthene
Property Insights of 5,6-Dinitroacenaphthene
The XLogP value of 3.7 indicates that 5,6-Dinitroacenaphthene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Dinitroacenaphthene. Following Lipinski's Rule of Five, 5,6-Dinitroacenaphthene has 0 hydrogen bond donor(s) and 4 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 5,6-Dinitroacenaphthene?
The CAS number of 5,6-Dinitroacenaphthene is 4406-87-5.
What is the molecular formula of 5,6-Dinitroacenaphthene?
The molecular formula of 5,6-Dinitroacenaphthene is C12H8N2O4.
What is the molecular weight of 5,6-Dinitroacenaphthene?
The molecular weight of 5,6-Dinitroacenaphthene is 244.05 g/mol.
Where can I buy 5,6-Dinitroacenaphthene?
You can request a quote for 5,6-Dinitroacenaphthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dinitroacenaphthene?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dinitroacenaphthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.