Scopoloside
TL;DR: Scopoloside (CAS 5405-90-3) is a chemical compound with molecular formula C16H18O9 and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Also Known As: Scopoloside, 6-methoxy-2-oxo-2h-chromen-7-yl d-glucopyranoside, 6-methoxy-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
| Molecular Formula | C16H18O9 |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.0951 |
| Heavy Atoms | 25 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 5405-90-3 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | SGTCGCCQZOUMJJ-YJUJGKJLSA-N |
Product Overview
Scopoloside (CAS 5405-90-3), with molecular formula C16H18O9 and molecular weight 354.10 g/mol. IUPAC: 6-methoxy-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one.
Chemical Property Profile of Scopoloside
Property Insights of Scopoloside
The XLogP value of -1.1 indicates that Scopoloside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Scopoloside. Following Lipinski's Rule of Five, Scopoloside has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Scopoloside?
The CAS number of Scopoloside is 5405-90-3.
What is the molecular formula of Scopoloside?
The molecular formula of Scopoloside is C16H18O9.
What is the molecular weight of Scopoloside?
The molecular weight of Scopoloside is 354.10 g/mol.
Where can I buy Scopoloside?
You can request a quote for Scopoloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scopoloside?
Yes, KEHONG BIO provides custom synthesis services for Scopoloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.