Glycycoumarin
TL;DR: Glycycoumarin (CAS 94805-82-0) is a chemical compound with molecular formula C21H20O6 and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)chromen-2-one
Also Known As: Glycycoumarin, glycocoumarin, 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)chromen-2-one, SID:163563886, Glycocoumarin - Glycyrrhiza uralensis (liquorice)
| Molecular Formula | C21H20O6 |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 4.0941 |
| Topological Polar Surface Area | 100.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.12598 |
| Heavy Atoms | 27 |
| Complexity | 1103.8354 |
Chemical Identifiers
| CAS Number | 94805-82-0 |
|---|---|
| SMILES | CC(=CCC1=C(C2=C(C=C1O)OC(=O)C(=C2)C3=C(C=C(C=C3)O)O)OC)C |
Product Overview
Glycycoumarin (CAS 94805-82-0), with molecular formula C21H20O6 and molecular weight 368.13 g/mol. IUPAC: 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)chromen-2-one.
Chemical Property Profile of Glycycoumarin
Property Insights of Glycycoumarin
The XLogP value of 4.0941 indicates that Glycycoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Glycycoumarin. Following Lipinski's Rule of Five, Glycycoumarin has 3 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 Glycycoumarin?
The CAS number of Glycycoumarin is 94805-82-0.
What is the molecular formula of Glycycoumarin?
The molecular formula of Glycycoumarin is C21H20O6.
What is the molecular weight of Glycycoumarin?
The molecular weight of Glycycoumarin is 368.13 g/mol.
Where can I buy Glycycoumarin?
You can request a quote for Glycycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycycoumarin?
Yes, KEHONG BIO provides custom synthesis services for Glycycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.