Isoliquiritin
TL;DR: Isoliquiritin (CAS 7014-39-3) is a chemical compound with molecular formula C21H22O9 and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Also Known As: Isoliquiritin, Neoisoliquiritin, Isoliquiritoside, Neoisoliquritin, Isoliquiriiin
| Molecular Formula | C21H22O9 |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 0.1726 |
| Topological Polar Surface Area | 156.91 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.12637 |
| Heavy Atoms | 30 |
| Complexity | 907.1931 |
Chemical Identifiers
| CAS Number | 7014-39-3 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
Product Overview
Isoliquiritin (CAS 7014-39-3), with molecular formula C21H22O9 and molecular weight 418.13 g/mol. IUPAC: (E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one.
Chemical Property Profile of Isoliquiritin
Property Insights of Isoliquiritin
The XLogP value of 0.1726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoliquiritin. The TPSA of 156.91 Ų indicates high polarity, suggesting Isoliquiritin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoliquiritin has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoliquiritin?
The CAS number of Isoliquiritin is 7014-39-3.
What is the molecular formula of Isoliquiritin?
The molecular formula of Isoliquiritin is C21H22O9.
What is the molecular weight of Isoliquiritin?
The molecular weight of Isoliquiritin is 418.13 g/mol.
Where can I buy Isoliquiritin?
You can request a quote for Isoliquiritin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoliquiritin?
Yes, KEHONG BIO provides custom synthesis services for Isoliquiritin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.