菊苣苷
TL;DR: 菊苣苷 (CAS 531-58-8) is a chemical compound with molecular formula C15H16O9 and molecular weight 340.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
菊苣苷
6-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Also Known As: Cichoriin, Cichorioside, CICHORIN, CICHORIIN [MI], 6,7-dihydroxycoumarin-7-glucoside
| Molecular Formula | C15H16O9 |
|---|---|
| Molecular Weight | 340.08 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.07944 |
| Heavy Atoms | 24 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 531-58-8 |
|---|---|
| SMILES | C1=CC(=O)OC2=CC(=C(C=C21)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | WNBCMONIPIJTSB-TVKJYDDYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
菊苣苷 (CAS 531-58-8), with molecular formula C15H16O9 and molecular weight 340.08 g/mol. IUPAC: 6-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one.
Chemical Property Profile of 菊苣苷
Property Insights of 菊苣苷
The XLogP value of -0.6 indicates that 菊苣苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting 菊苣苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 菊苣苷 has 5 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 菊苣苷?
The CAS number of 菊苣苷 is 531-58-8.
What is the molecular formula of 菊苣苷?
The molecular formula of 菊苣苷 is C15H16O9.
What is the molecular weight of 菊苣苷?
The molecular weight of 菊苣苷 is 340.08 g/mol.
Where can I buy 菊苣苷?
You can request a quote for 菊苣苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 菊苣苷?
Yes, KEHONG BIO provides custom synthesis services for 菊苣苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.