Haloquinone
TL;DR: Haloquinone (CAS 85392-14-9) is a chemical compound with molecular formula C17H12O5 and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-1,8-dihydroxy-2-methylphenanthrene-9,10-dione
Also Known As: Haloquinone, 3-acetyl-1,8-dihydroxy-2-methylphenanthrene-9,10-dione, 3-Acetyl-1,8-dihydroxy-2-methyl-9,10-phenanthrenequinone, 9,10-Phenanthrenedione, 3-acetyl-1,8-dihydroxy-2-methyl-, 3-Acetyl-1,8-dihydroxy-2-methyl-9,10-phenanthrenedione
| Molecular Formula | C17H12O5 |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.06848 |
| Heavy Atoms | 22 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 85392-14-9 |
|---|---|
| SMILES | CC1=C(C=C2C3=C(C(=CC=C3)O)C(=O)C(=O)C2=C1O)C(=O)C |
| InChIKey | CPYFLMXPZMBECD-UHFFFAOYSA-N |
Product Overview
Haloquinone (CAS 85392-14-9), with molecular formula C17H12O5 and molecular weight 296.07 g/mol. IUPAC: 3-acetyl-1,8-dihydroxy-2-methylphenanthrene-9,10-dione.
Chemical Property Profile of Haloquinone
Property Insights of Haloquinone
The XLogP value of 3.1 indicates that Haloquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Haloquinone. Following Lipinski's Rule of Five, Haloquinone has 2 hydrogen bond donor(s) and 5 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 Haloquinone?
The CAS number of Haloquinone is 85392-14-9.
What is the molecular formula of Haloquinone?
The molecular formula of Haloquinone is C17H12O5.
What is the molecular weight of Haloquinone?
The molecular weight of Haloquinone is 296.07 g/mol.
Where can I buy Haloquinone?
You can request a quote for Haloquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Haloquinone?
Yes, KEHONG BIO provides custom synthesis services for Haloquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.