Isoschaftoside
TL;DR: Isoschaftoside (CAS 52012-29-0) is a chemical compound with molecular formula C26H28O14 and molecular weight 564.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Also Known As: Isoschaftoside, Isoshaftoside, Isoschaftoside (Standard), apigenin-C-hexoside-pentoside, apigenin-C-hexaose-C-pentoside
| Molecular Formula | C26H28O14 |
|---|---|
| Molecular Weight | 564.15 g/mol |
| LogP | -1.7543 |
| Topological Polar Surface Area | 250.97 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 564.1479 |
| Heavy Atoms | 40 |
| Complexity | 1450.762 |
Chemical Identifiers
| CAS Number | 52012-29-0 |
|---|---|
| SMILES | C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O |
Product Overview
Isoschaftoside (CAS 52012-29-0), with molecular formula C26H28O14 and molecular weight 564.15 g/mol. IUPAC: 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one.
Chemical Property Profile of Isoschaftoside
Property Insights of Isoschaftoside
The XLogP value of -1.7543 indicates that Isoschaftoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 250.97 Ų indicates high polarity, suggesting Isoschaftoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoschaftoside has 10 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoschaftoside?
The CAS number of Isoschaftoside is 52012-29-0.
What is the molecular formula of Isoschaftoside?
The molecular formula of Isoschaftoside is C26H28O14.
What is the molecular weight of Isoschaftoside?
The molecular weight of Isoschaftoside is 564.15 g/mol.
Where can I buy Isoschaftoside?
You can request a quote for Isoschaftoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoschaftoside?
Yes, KEHONG BIO provides custom synthesis services for Isoschaftoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.