Calycosin 7-o-beta-D-glucoside
TL;DR: Calycosin 7-o-beta-D-glucoside (CAS 20633-67-4) 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.
3-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Calycosin-7-O-beta-D-glucoside, Calycosin 7-O-glucoside, 5'-hydroxyononin, Calycosin-7-O-, A-D-glucoside
| Molecular Formula | C22H22O10 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 0.3529 |
| Topological Polar Surface Area | 159.05 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.1213 |
| Heavy Atoms | 32 |
| Complexity | 1171.0756 |
Chemical Identifiers
| CAS Number | 20633-67-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
Product Overview
Calycosin 7-o-beta-D-glucoside (CAS 20633-67-4), with molecular formula C22H22O10 and molecular weight 446.12 g/mol. IUPAC: 3-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Calycosin 7-o-beta-D-glucoside
Property Insights of Calycosin 7-o-beta-D-glucoside
The XLogP value of 0.3529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calycosin 7-o-beta-D-glucoside. The TPSA of 159.05 Ų indicates high polarity, suggesting Calycosin 7-o-beta-D-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calycosin 7-o-beta-D-glucoside has 5 hydrogen bond donor(s) and 10 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 Calycosin 7-o-beta-D-glucoside?
The CAS number of Calycosin 7-o-beta-D-glucoside is 20633-67-4.
What is the molecular formula of Calycosin 7-o-beta-D-glucoside?
The molecular formula of Calycosin 7-o-beta-D-glucoside is C22H22O10.
What is the molecular weight of Calycosin 7-o-beta-D-glucoside?
The molecular weight of Calycosin 7-o-beta-D-glucoside is 446.12 g/mol.
Where can I buy Calycosin 7-o-beta-D-glucoside?
You can request a quote for Calycosin 7-o-beta-D-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calycosin 7-o-beta-D-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Calycosin 7-o-beta-D-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.