Licocoumarone
TL;DR: Licocoumarone (CAS 118524-14-4) 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.
4-[6-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol
Also Known As: Licocoumarone, SID:405021224, Benzyl(2-hydroxyethyl)dimethylammonium hydroxide, Benzyl(2-hydroxyethyl)dimethylammonium, hydroxide, Arylbenzofuran flavonoid base + 3O, 1MeO, 1Prenyl
| Molecular Formula | C20H20O5 |
|---|---|
| Molecular Weight | 340.13 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.13107 |
| Heavy Atoms | 25 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 118524-14-4 |
|---|---|
| SMILES | CC(=CCC1=C(C2=C(C=C1O)OC(=C2)C3=C(C=C(C=C3)O)O)OC)C |
| InChIKey | CNPMAFLUEHEXRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Licocoumarone (CAS 118524-14-4), with molecular formula C20H20O5 and molecular weight 340.13 g/mol. IUPAC: 4-[6-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol.
Chemical Property Profile of Licocoumarone
Property Insights of Licocoumarone
The XLogP value of 4.8 indicates that Licocoumarone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Licocoumarone. Following Lipinski's Rule of Five, Licocoumarone has 3 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 Licocoumarone?
The CAS number of Licocoumarone is 118524-14-4.
What is the molecular formula of Licocoumarone?
The molecular formula of Licocoumarone is C20H20O5.
What is the molecular weight of Licocoumarone?
The molecular weight of Licocoumarone is 340.13 g/mol.
Where can I buy Licocoumarone?
You can request a quote for Licocoumarone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Licocoumarone?
Yes, KEHONG BIO provides custom synthesis services for Licocoumarone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.