1,3-Dinitrooxanthrene
TL;DR: 1,3-Dinitrooxanthrene (CAS 50489-13-9) is a chemical compound with molecular formula C12H6N2O6 and molecular weight 274.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dinitrodibenzo-p-dioxin
Also Known As: 1,3-Dinitrooxanthrene, 1,3-dinitrodibenzo-p-dioxin, 1,3-Dinitrooxanthrene #, 1,3-Dinitro-dibenzo[1,4]dioxine, AE-848/30689047
| Molecular Formula | C12H6N2O6 |
|---|---|
| Molecular Weight | 274.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.02258 |
| Heavy Atoms | 20 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 50489-13-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)OC3=CC(=CC(=C3O2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YKBFDZKCVIXREA-UHFFFAOYSA-N |
Product Overview
1,3-Dinitrooxanthrene (CAS 50489-13-9), with molecular formula C12H6N2O6 and molecular weight 274.02 g/mol. IUPAC: 1,3-dinitrodibenzo-p-dioxin.
Chemical Property Profile of 1,3-Dinitrooxanthrene
Property Insights of 1,3-Dinitrooxanthrene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dinitrooxanthrene. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dinitrooxanthrene. Following Lipinski's Rule of Five, 1,3-Dinitrooxanthrene 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 1,3-Dinitrooxanthrene?
The CAS number of 1,3-Dinitrooxanthrene is 50489-13-9.
What is the molecular formula of 1,3-Dinitrooxanthrene?
The molecular formula of 1,3-Dinitrooxanthrene is C12H6N2O6.
What is the molecular weight of 1,3-Dinitrooxanthrene?
The molecular weight of 1,3-Dinitrooxanthrene is 274.02 g/mol.
Where can I buy 1,3-Dinitrooxanthrene?
You can request a quote for 1,3-Dinitrooxanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dinitrooxanthrene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dinitrooxanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.