1,6-Dinitropyrene
TL;DR: 1,6-Dinitropyrene (CAS 42397-64-8) is a chemical compound with molecular formula C16H8N2O4 and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-dinitropyrene
Also Known As: 1,6-DINITROPYRENE, Pyrene, 1,6-dinitro-, 1,6-Dinitro-pyrene, 1,6-Dinitropyrene [Nitroarenes], 1,6-Dinitropyrene, 98%
| Molecular Formula | C16H8N2O4 |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.0484 |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
| Melting Point | 300 °C |
| Solubility | Moderately soluble in toluene |
Chemical Identifiers
| CAS Number | 42397-64-8 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GUXACCKTQWVTLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,6-Dinitropyrene (CAS 42397-64-8), with molecular formula C16H8N2O4 and molecular weight 292.05 g/mol. IUPAC: 1,6-dinitropyrene.
Chemical Property Profile of 1,6-Dinitropyrene
Property Insights of 1,6-Dinitropyrene
The XLogP value of 4.7 indicates that 1,6-Dinitropyrene 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 1,6-Dinitropyrene. Following Lipinski's Rule of Five, 1,6-Dinitropyrene 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 1,6-Dinitropyrene?
The CAS number of 1,6-Dinitropyrene is 42397-64-8.
What is the molecular formula of 1,6-Dinitropyrene?
The molecular formula of 1,6-Dinitropyrene is C16H8N2O4.
What is the molecular weight of 1,6-Dinitropyrene?
The molecular weight of 1,6-Dinitropyrene is 292.05 g/mol.
Where can I buy 1,6-Dinitropyrene?
You can request a quote for 1,6-Dinitropyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Dinitropyrene?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Dinitropyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.