Swertisin
TL;DR: Swertisin (CAS 7382-06-1) is a chemical compound with molecular formula C22H22O10 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Also Known As: Swertisin, Flavocommelitin, Swertish, Swertisin (Standard), APIGENIN 6-GLUCOSYL-7-O-METHYL ETHER
| Molecular Formula | C22H22O10 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.1213 |
| Heavy Atoms | 32 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 7382-06-1 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChIKey | ABRULANJVVJLFI-DGHBBABESA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Swertisin (CAS 7382-06-1), with molecular formula C22H22O10 and molecular weight 446.12 g/mol. IUPAC: 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one.
Chemical Property Profile of Swertisin
Property Insights of Swertisin
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Swertisin. The TPSA of 166.0 Ų indicates high polarity, suggesting Swertisin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Swertisin has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Swertisin?
The CAS number of Swertisin is 7382-06-1.
What is the molecular formula of Swertisin?
The molecular formula of Swertisin is C22H22O10.
What is the molecular weight of Swertisin?
The molecular weight of Swertisin is 446.12 g/mol.
Where can I buy Swertisin?
You can request a quote for Swertisin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Swertisin?
Yes, KEHONG BIO provides custom synthesis services for Swertisin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.