6,12-Dinitrochrysene
TL;DR: 6,12-Dinitrochrysene (CAS 7495-99-0) is a chemical compound with molecular formula C18H10N2O4 and molecular weight 318.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,12-dinitrochrysene
Also Known As: 6,12-dinitrochrysene, 636-152-5, RefChem:305961
| Molecular Formula | C18H10N2O4 |
|---|---|
| Molecular Weight | 318.06 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 318.06406 |
| Heavy Atoms | 24 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 7495-99-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC3=C2C=C(C4=CC=CC=C43)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CNXNBAOTRNURPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,12-Dinitrochrysene (CAS 7495-99-0), with molecular formula C18H10N2O4 and molecular weight 318.06 g/mol. IUPAC: 6,12-dinitrochrysene.
Chemical Property Profile of 6,12-Dinitrochrysene
Property Insights of 6,12-Dinitrochrysene
The XLogP value of 5.3 indicates that 6,12-Dinitrochrysene 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 6,12-Dinitrochrysene. Following Lipinski's Rule of Five, 6,12-Dinitrochrysene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,12-Dinitrochrysene?
The CAS number of 6,12-Dinitrochrysene is 7495-99-0.
What is the molecular formula of 6,12-Dinitrochrysene?
The molecular formula of 6,12-Dinitrochrysene is C18H10N2O4.
What is the molecular weight of 6,12-Dinitrochrysene?
The molecular weight of 6,12-Dinitrochrysene is 318.06 g/mol.
Where can I buy 6,12-Dinitrochrysene?
You can request a quote for 6,12-Dinitrochrysene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,12-Dinitrochrysene?
Yes, KEHONG BIO provides custom synthesis services for 6,12-Dinitrochrysene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.