Flavanomarein
TL;DR: Flavanomarein (CAS 577-38-8) is a chemical compound with molecular formula C21H22O11 and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Also Known As: Flavanomarein, trihydroxyflavanone, isookanine-7-glucoside, Isookanin-7-glucoside, Iso-okanin-7-glucoside
| Molecular Formula | C21H22O11 |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.1162 |
| Heavy Atoms | 32 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 577-38-8 |
|---|---|
| SMILES | C1[C@H](OC2=C(C1=O)C=CC(=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)O |
| InChIKey | DGGOLFCPSUVVHX-RTHJTPBESA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Flavanomarein (CAS 577-38-8), with molecular formula C21H22O11 and molecular weight 450.12 g/mol. IUPAC: (2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of Flavanomarein
Property Insights of Flavanomarein
The XLogP value of -0.3 indicates that Flavanomarein is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.0 Ų indicates high polarity, suggesting Flavanomarein may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Flavanomarein has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Flavanomarein?
The CAS number of Flavanomarein is 577-38-8.
What is the molecular formula of Flavanomarein?
The molecular formula of Flavanomarein is C21H22O11.
What is the molecular weight of Flavanomarein?
The molecular weight of Flavanomarein is 450.12 g/mol.
Where can I buy Flavanomarein?
You can request a quote for Flavanomarein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flavanomarein?
Yes, KEHONG BIO provides custom synthesis services for Flavanomarein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.