Quercimeritrin
TL;DR: Quercimeritrin (CAS 491-50-9) is a chemical compound with molecular formula C21H22O12 and molecular weight 466.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Also Known As: Quercimeritrin, Quercetin-7-glucoside, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
| Molecular Formula | C21H22O12 |
|---|---|
| Molecular Weight | 466.11 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.1111 |
| Heavy Atoms | 33 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 491-50-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O |
| InChIKey | BJAHHJOBSKZTFE-QOFRXWOZSA-N |
Product Overview
Quercimeritrin (CAS 491-50-9), with molecular formula C21H22O12 and molecular weight 466.11 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-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 Quercimeritrin
Property Insights of Quercimeritrin
The XLogP value of -0.3 indicates that Quercimeritrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.0 Ų indicates high polarity, suggesting Quercimeritrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quercimeritrin has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quercimeritrin?
The CAS number of Quercimeritrin is 491-50-9.
What is the molecular formula of Quercimeritrin?
The molecular formula of Quercimeritrin is C21H22O12.
What is the molecular weight of Quercimeritrin?
The molecular weight of Quercimeritrin is 466.11 g/mol.
Where can I buy Quercimeritrin?
You can request a quote for Quercimeritrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quercimeritrin?
Yes, KEHONG BIO provides custom synthesis services for Quercimeritrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.