Picene-5,6-dione
TL;DR: Picene-5,6-dione (CAS 94805-85-3) is a chemical compound with molecular formula C22H12O2 and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
picene-5,6-dione
Also Known As: Picene-5,6-dione, 5,6-Picenedione, 5,6-Dioxo-5,6-dihydro-picen
| Molecular Formula | C22H12O2 |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 308.08374 |
| Heavy Atoms | 24 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 94805-85-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C(=O)C(=O)C5=CC=CC=C45 |
| InChIKey | DVDDCKBJLHNFTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Picene-5,6-dione (CAS 94805-85-3), with molecular formula C22H12O2 and molecular weight 308.08 g/mol. IUPAC: picene-5,6-dione.
Chemical Property Profile of Picene-5,6-dione
Property Insights of Picene-5,6-dione
The XLogP value of 5.1 indicates that Picene-5,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Picene-5,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Picene-5,6-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Picene-5,6-dione?
The CAS number of Picene-5,6-dione is 94805-85-3.
What is the molecular formula of Picene-5,6-dione?
The molecular formula of Picene-5,6-dione is C22H12O2.
What is the molecular weight of Picene-5,6-dione?
The molecular weight of Picene-5,6-dione is 308.08 g/mol.
Where can I buy Picene-5,6-dione?
You can request a quote for Picene-5,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Picene-5,6-dione?
Yes, KEHONG BIO provides custom synthesis services for Picene-5,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.