Isoquercitrin
TL;DR: Isoquercitrin (CAS 216376-08-8) is a chemical compound with molecular formula C21H20O12 and molecular weight 464.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Also Known As: Isoquercitrin, Isoquercitroside, Isotrifolin, Isotrifoliin, isoquercitin
| Molecular Formula | C21H20O12 |
|---|---|
| Molecular Weight | 464.10 g/mol |
| LogP | -0.5389 |
| Topological Polar Surface Area | 210.51 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.0955 |
| Heavy Atoms | 33 |
| Complexity | 1252.2042 |
Chemical Identifiers
| CAS Number | 216376-08-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)O)O |
Product Overview
Isoquercitrin (CAS 216376-08-8), with molecular formula C21H20O12 and molecular weight 464.10 g/mol. IUPAC: 3-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one.
Chemical Property Profile of Isoquercitrin
Property Insights of Isoquercitrin
The XLogP value of -0.5389 indicates that Isoquercitrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 210.51 Ų indicates high polarity, suggesting Isoquercitrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoquercitrin 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 Isoquercitrin?
The CAS number of Isoquercitrin is 216376-08-8.
What is the molecular formula of Isoquercitrin?
The molecular formula of Isoquercitrin is C21H20O12.
What is the molecular weight of Isoquercitrin?
The molecular weight of Isoquercitrin is 464.10 g/mol.
Where can I buy Isoquercitrin?
You can request a quote for Isoquercitrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquercitrin?
Yes, KEHONG BIO provides custom synthesis services for Isoquercitrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.