1,6-Pyrenedione
TL;DR: 1,6-Pyrenedione (CAS 1785-51-9) is a chemical compound with molecular formula C16H8O2 and molecular weight 232.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrene-1,6-dione
Also Known As: 1,6-PYRENEDIONE, Pyrenequinone, Pyrene-1,6-dione, 1,6-Pyrenequinone, 3,8-Pyrenedione
| Molecular Formula | C16H8O2 |
|---|---|
| Molecular Weight | 232.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.05243 |
| Heavy Atoms | 18 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 1785-51-9 |
|---|---|
| SMILES | C1=CC2=C3C(=CC=C4C3=C1C=CC4=O)C=CC2=O |
| InChIKey | YFPSDOXLHBDCOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,6-Pyrenedione (CAS 1785-51-9), with molecular formula C16H8O2 and molecular weight 232.05 g/mol. IUPAC: pyrene-1,6-dione.
Chemical Property Profile of 1,6-Pyrenedione
Property Insights of 1,6-Pyrenedione
The XLogP value of 3.2 indicates that 1,6-Pyrenedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,6-Pyrenedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Pyrenedione has 0 hydrogen bond donor(s) and 2 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-Pyrenedione?
The CAS number of 1,6-Pyrenedione is 1785-51-9.
What is the molecular formula of 1,6-Pyrenedione?
The molecular formula of 1,6-Pyrenedione is C16H8O2.
What is the molecular weight of 1,6-Pyrenedione?
The molecular weight of 1,6-Pyrenedione is 232.05 g/mol.
Where can I buy 1,6-Pyrenedione?
You can request a quote for 1,6-Pyrenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Pyrenedione?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Pyrenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.