Quercetagitrin
TL;DR: Quercetagitrin (CAS 548-75-4) is a chemical compound with molecular formula C21H20O13 and molecular weight 480.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Quercetagitrin, Quercetagetin-7-O-glucoside, 4-Bromobutyronitrile, QUECCETAGITRIN, Quercetagetin 7-glucoside
| Molecular Formula | C21H20O13 |
|---|---|
| Molecular Weight | 480.09 g/mol |
| LogP | -0.8333 |
| Topological Polar Surface Area | 230.74 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.0904 |
| Heavy Atoms | 34 |
| Complexity | 1298.2928 |
Chemical Identifiers
| CAS Number | 548-75-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(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)O |
Product Overview
Quercetagitrin (CAS 548-75-4), with molecular formula C21H20O13 and molecular weight 480.09 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Quercetagitrin
Property Insights of Quercetagitrin
The XLogP value of -0.8333 indicates that Quercetagitrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 230.74 Ų indicates high polarity, suggesting Quercetagitrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quercetagitrin has 9 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quercetagitrin?
The CAS number of Quercetagitrin is 548-75-4.
What is the molecular formula of Quercetagitrin?
The molecular formula of Quercetagitrin is C21H20O13.
What is the molecular weight of Quercetagitrin?
The molecular weight of Quercetagitrin is 480.09 g/mol.
Where can I buy Quercetagitrin?
You can request a quote for Quercetagitrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quercetagitrin?
Yes, KEHONG BIO provides custom synthesis services for Quercetagitrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.