Echinone
TL;DR: Echinone (CAS 80348-65-8) is a chemical compound with molecular formula C19H20O6 and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-1-(4-hydroxy-1-methoxy-5,8-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate
Also Known As: Echinone, (-)-Echinone, [(1S)-1-(4-hydroxy-1-methoxy-5,8-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate, 1,4-Naphthalenedione, 6-((1S)-1-(acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-, (1S)-1-(4-hydroxy-1-methoxy-5,8-dioxo-5,8-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl acetate
| Molecular Formula | C19H20O6 |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.12598 |
| Heavy Atoms | 25 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 80348-65-8 |
|---|---|
| SMILES | CC(=CC[C@@H](C1=CC(=C2C(=O)C=CC(=O)C2=C1OC)O)OC(=O)C)C |
| InChIKey | SCIUCADXFKAPEB-INIZCTEOSA-N |
Product Overview
Echinone (CAS 80348-65-8), with molecular formula C19H20O6 and molecular weight 344.13 g/mol. IUPAC: [(1S)-1-(4-hydroxy-1-methoxy-5,8-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate.
Chemical Property Profile of Echinone
Property Insights of Echinone
The XLogP value of 3.3 indicates that Echinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Echinone. Following Lipinski's Rule of Five, Echinone has 1 hydrogen bond donor(s) and 6 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 Echinone?
The CAS number of Echinone is 80348-65-8.
What is the molecular formula of Echinone?
The molecular formula of Echinone is C19H20O6.
What is the molecular weight of Echinone?
The molecular weight of Echinone is 344.13 g/mol.
Where can I buy Echinone?
You can request a quote for Echinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Echinone?
Yes, KEHONG BIO provides custom synthesis services for Echinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.