Scandoside, methyl ester
TL;DR: Scandoside, methyl ester (CAS 27530-67-2) is a chemical compound with molecular formula C17H24O11 and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Also Known As: Feretoside, Scandoside methyl ester, 6beta-hydroxygeniposide, Scandioside methyl ester, 6-Hydroxygeniposide
| Molecular Formula | C17H24O11 |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.13187 |
| Heavy Atoms | 28 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 27530-67-2 |
|---|---|
| SMILES | COC(=O)C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | WSGPLSDARZNMCW-LPGRTNKPSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Scandoside, methyl ester (CAS 27530-67-2), with molecular formula C17H24O11 and molecular weight 404.13 g/mol. IUPAC: methyl (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate.
Chemical Property Profile of Scandoside, methyl ester
Property Insights of Scandoside, methyl ester
The XLogP value of -3.5 indicates that Scandoside, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting Scandoside, methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Scandoside, methyl ester has 6 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 Scandoside, methyl ester?
The CAS number of Scandoside, methyl ester is 27530-67-2.
What is the molecular formula of Scandoside, methyl ester?
The molecular formula of Scandoside, methyl ester is C17H24O11.
What is the molecular weight of Scandoside, methyl ester?
The molecular weight of Scandoside, methyl ester is 404.13 g/mol.
Where can I buy Scandoside, methyl ester?
You can request a quote for Scandoside, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scandoside, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Scandoside, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.