1H-Phenalene-1,2,3-trione
TL;DR: 1H-Phenalene-1,2,3-trione (CAS 5116-63-2) is a chemical compound with molecular formula C13H6O3 and molecular weight 210.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenalene-1,2,3-trione
Also Known As: 1H-Phenalene-1,2,3-trione, phenalene-1,2,3-trione, Phenalentrion, peri-Naphthindantrione, 1.8-Mesoxalyl-naphthalin
| Molecular Formula | C13H6O3 |
|---|---|
| Molecular Weight | 210.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.0317 |
| Heavy Atoms | 16 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 5116-63-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)C(=O)C(=O)C3=CC=C2 |
| InChIKey | VUJNWSHCZKZTMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Phenalene-1,2,3-trione (CAS 5116-63-2), with molecular formula C13H6O3 and molecular weight 210.03 g/mol. IUPAC: phenalene-1,2,3-trione.
Chemical Property Profile of 1H-Phenalene-1,2,3-trione
Property Insights of 1H-Phenalene-1,2,3-trione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Phenalene-1,2,3-trione. With a topological polar surface area (TPSA) of 51.2 Ų, 1H-Phenalene-1,2,3-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Phenalene-1,2,3-trione has 0 hydrogen bond donor(s) and 3 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 1H-Phenalene-1,2,3-trione?
The CAS number of 1H-Phenalene-1,2,3-trione is 5116-63-2.
What is the molecular formula of 1H-Phenalene-1,2,3-trione?
The molecular formula of 1H-Phenalene-1,2,3-trione is C13H6O3.
What is the molecular weight of 1H-Phenalene-1,2,3-trione?
The molecular weight of 1H-Phenalene-1,2,3-trione is 210.03 g/mol.
Where can I buy 1H-Phenalene-1,2,3-trione?
You can request a quote for 1H-Phenalene-1,2,3-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Phenalene-1,2,3-trione?
Yes, KEHONG BIO provides custom synthesis services for 1H-Phenalene-1,2,3-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.