Isoscoparin
TL;DR: Isoscoparin (CAS 20013-23-4) 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.
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Also Known As: Isoscoparin, Isoscoparine, (+)-Isoscoparin, C-Glucosyl-6 chrysoeriol, Chrysoeriol 6-C-glucoside
| 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 | 20013-23-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O |
| InChIKey | KOMUHHCFAXYRPO-DGHBBABESA-N |
Product Overview
Isoscoparin (CAS 20013-23-4), with molecular formula C22H22O11 and molecular weight 462.12 g/mol. IUPAC: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one.
Chemical Property Profile of Isoscoparin
Property Insights of Isoscoparin
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoscoparin. The TPSA of 186.0 Ų indicates high polarity, suggesting Isoscoparin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoscoparin 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 Isoscoparin?
The CAS number of Isoscoparin is 20013-23-4.
What is the molecular formula of Isoscoparin?
The molecular formula of Isoscoparin is C22H22O11.
What is the molecular weight of Isoscoparin?
The molecular weight of Isoscoparin is 462.12 g/mol.
Where can I buy Isoscoparin?
You can request a quote for Isoscoparin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoscoparin?
Yes, KEHONG BIO provides custom synthesis services for Isoscoparin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.