Agastaquinone
TL;DR: Agastaquinone (CAS 172923-90-9) is a chemical compound with molecular formula C20H20O5 and molecular weight 340.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-hydroxy-3-methoxy-8,8-dimethyl-2-propan-2-ylphenanthrene-1,4,7-trione
Also Known As: Agastaquinone, 10-hydroxy-3-methoxy-8,8-dimethyl-2-propan-2-ylphenanthrene-1,4,7-trione, 1,4,7(8H)-Phenanthrenetrione, 10-hydroxy-3-methoxy-8,8-dimethyl-2-(1-methylethyl)-, 7-hydroxy-12-methoxy-20-norabieta-1,5(10),6,8,12-pentaene-3,11,14-trione, 10-Hydroxy-3-methoxy-8,8-dimethyl-2-(propan-2-yl)phenanthrene-1,4,7(8H)-trione
| Molecular Formula | C20H20O5 |
|---|---|
| Molecular Weight | 340.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.13107 |
| Heavy Atoms | 25 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 172923-90-9 |
|---|---|
| SMILES | CC(C)C1=C(C(=O)C2=C3C=CC(=O)C(C3=CC(=C2C1=O)O)(C)C)OC |
| InChIKey | STVUTFZJYUGHSD-UHFFFAOYSA-N |
Product Overview
Agastaquinone (CAS 172923-90-9), with molecular formula C20H20O5 and molecular weight 340.13 g/mol. IUPAC: 10-hydroxy-3-methoxy-8,8-dimethyl-2-propan-2-ylphenanthrene-1,4,7-trione.
Chemical Property Profile of Agastaquinone
Property Insights of Agastaquinone
The XLogP value of 3.8 indicates that Agastaquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Agastaquinone. Following Lipinski's Rule of Five, Agastaquinone has 1 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 Agastaquinone?
The CAS number of Agastaquinone is 172923-90-9.
What is the molecular formula of Agastaquinone?
The molecular formula of Agastaquinone is C20H20O5.
What is the molecular weight of Agastaquinone?
The molecular weight of Agastaquinone is 340.13 g/mol.
Where can I buy Agastaquinone?
You can request a quote for Agastaquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agastaquinone?
Yes, KEHONG BIO provides custom synthesis services for Agastaquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.