Neoschaftoside
TL;DR: Neoschaftoside (CAS 61328-41-4) 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)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Also Known As: Neoschaftoside, Neoshaftoside, Schaftoside, 6-C-glucosyl-8-C-arabinosyl-apigenin, J1.944.441D
| Molecular Formula | C26H28O14 |
|---|---|
| Molecular Weight | 564.15 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 564.1479 |
| Heavy Atoms | 40 |
| Complexity | 938.0 |
Chemical Identifiers
| CAS Number | 61328-41-4 |
|---|---|
| SMILES | C1[C@@H]([C@@H]([C@H]([C@H](O1)C2=C3C(=C(C(=C2O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O |
| InChIKey | MMDUKUSNQNWVET-LQYCTPBQSA-N |
Product Overview
Neoschaftoside (CAS 61328-41-4), with molecular formula C26H28O14 and molecular weight 564.15 g/mol. IUPAC: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one.
Chemical Property Profile of Neoschaftoside
Property Insights of Neoschaftoside
The XLogP value of -2.2 indicates that Neoschaftoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 247.0 Ų indicates high polarity, suggesting Neoschaftoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neoschaftoside 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 Neoschaftoside?
The CAS number of Neoschaftoside is 61328-41-4.
What is the molecular formula of Neoschaftoside?
The molecular formula of Neoschaftoside is C26H28O14.
What is the molecular weight of Neoschaftoside?
The molecular weight of Neoschaftoside is 564.15 g/mol.
Where can I buy Neoschaftoside?
You can request a quote for Neoschaftoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neoschaftoside?
Yes, KEHONG BIO provides custom synthesis services for Neoschaftoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.