Swertiajaponin
TL;DR: Swertiajaponin (CAS 6980-25-2) is a chemical compound with molecular formula C22H22O11 and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Also Known As: Swertiajaponin, Leucanthoside, HY-N2204, 5,3',4'-trihydroxy-7-methoxyflavone-6-C-beta-D-glucoside, 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-oneertiajaponin
| Molecular Formula | C22H22O11 |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.1162 |
| Heavy Atoms | 33 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 6980-25-2 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChIKey | DLVLXOYLQKCAME-DGHBBABESA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Swertiajaponin (CAS 6980-25-2), with molecular formula C22H22O11 and molecular weight 462.12 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one.
Chemical Property Profile of Swertiajaponin
Property Insights of Swertiajaponin
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Swertiajaponin. The TPSA of 186.0 Ų indicates high polarity, suggesting Swertiajaponin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Swertiajaponin has 7 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 Swertiajaponin?
The CAS number of Swertiajaponin is 6980-25-2.
What is the molecular formula of Swertiajaponin?
The molecular formula of Swertiajaponin is C22H22O11.
What is the molecular weight of Swertiajaponin?
The molecular weight of Swertiajaponin is 462.12 g/mol.
Where can I buy Swertiajaponin?
You can request a quote for Swertiajaponin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Swertiajaponin?
Yes, KEHONG BIO provides custom synthesis services for Swertiajaponin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.