Isoorientin
TL;DR: Isoorientin (CAS 4261-42-1) is a chemical compound with molecular formula C21H20O11 and molecular weight 448.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Also Known As: Isoorientin, Homoorientin, Luteolin-6-C-glucoside, iso-orientin, Lespecapitioside
| Molecular Formula | C21H20O11 |
|---|---|
| Molecular Weight | 448.10 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.10056 |
| Heavy Atoms | 32 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 4261-42-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O |
| InChIKey | ODBRNZZJSYPIDI-VJXVFPJBSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoorientin (CAS 4261-42-1), with molecular formula C21H20O11 and molecular weight 448.10 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one.
Chemical Property Profile of Isoorientin
Property Insights of Isoorientin
The XLogP value of -0.2 indicates that Isoorientin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 197.0 Ų indicates high polarity, suggesting Isoorientin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoorientin has 8 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 Isoorientin?
The CAS number of Isoorientin is 4261-42-1.
What is the molecular formula of Isoorientin?
The molecular formula of Isoorientin is C21H20O11.
What is the molecular weight of Isoorientin?
The molecular weight of Isoorientin is 448.10 g/mol.
Where can I buy Isoorientin?
You can request a quote for Isoorientin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoorientin?
Yes, KEHONG BIO provides custom synthesis services for Isoorientin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.