5,6-Dinitroacenaphthoquinone
TL;DR: 5,6-Dinitroacenaphthoquinone (CAS 27471-02-9) is a chemical compound with molecular formula C12H4N2O6 and molecular weight 272.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dinitroacenaphthylene-1,2-dione
Also Known As: 5,6-dinitroacenaphthoquinone, 5,6-dinitroacenaphthylene-1,2-dione, 5,6-dinitroacenaphthenequinone, 5,6-Dinitro-1,2-acenaphthylenedione, 1,2-Acenaphthylenedione, 5,6-dinitro-
| Molecular Formula | C12H4N2O6 |
|---|---|
| Molecular Weight | 272.01 g/mol |
| LogP | 2.0352 |
| Topological Polar Surface Area | 120.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.00693 |
| Heavy Atoms | 20 |
| Complexity | 787.88666 |
Chemical Identifiers
| CAS Number | 27471-02-9 |
|---|---|
| SMILES | C1=CC(=C2C(=CC=C3C2=C1C(=O)C3=O)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
5,6-Dinitroacenaphthoquinone (CAS 27471-02-9), with molecular formula C12H4N2O6 and molecular weight 272.01 g/mol. IUPAC: 5,6-dinitroacenaphthylene-1,2-dione.
Chemical Property Profile of 5,6-Dinitroacenaphthoquinone
Property Insights of 5,6-Dinitroacenaphthoquinone
The XLogP value of 2.0352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dinitroacenaphthoquinone. The TPSA of 120.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Dinitroacenaphthoquinone. Following Lipinski's Rule of Five, 5,6-Dinitroacenaphthoquinone has 0 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 5,6-Dinitroacenaphthoquinone?
The CAS number of 5,6-Dinitroacenaphthoquinone is 27471-02-9.
What is the molecular formula of 5,6-Dinitroacenaphthoquinone?
The molecular formula of 5,6-Dinitroacenaphthoquinone is C12H4N2O6.
What is the molecular weight of 5,6-Dinitroacenaphthoquinone?
The molecular weight of 5,6-Dinitroacenaphthoquinone is 272.01 g/mol.
Where can I buy 5,6-Dinitroacenaphthoquinone?
You can request a quote for 5,6-Dinitroacenaphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dinitroacenaphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dinitroacenaphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.