Bractein
TL;DR: Bractein (CAS 22684-08-8) is a chemical compound with molecular formula C21H20O12 and molecular weight 464.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-6-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3-one
Also Known As: Bractein, (2Z)-6-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3-one, (2Z)-6-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-1-benzouran-3-one, (2Z)-6-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[(3,4,5-trihydroxyphenyl)methylene]benzofuran-3-one, 2-[(Z)-(3,4,5-Trihydroxyphenyl)methylene]-4-(beta-D-glucopyranosyloxy)-6-hydroxybenzofuran-3(2H)-one
| Molecular Formula | C21H20O12 |
|---|---|
| Molecular Weight | 464.10 g/mol |
| LogP | -0.6961 |
| Topological Polar Surface Area | 206.6 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.0955 |
| Heavy Atoms | 33 |
| Complexity | 1101.4636 |
Chemical Identifiers
| CAS Number | 22684-08-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)O)/C=C\2/C(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O |
Product Overview
Bractein (CAS 22684-08-8), with molecular formula C21H20O12 and molecular weight 464.10 g/mol. IUPAC: (2Z)-6-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3-one.
Chemical Property Profile of Bractein
Property Insights of Bractein
The XLogP value of -0.6961 indicates that Bractein is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 206.6 Ų indicates high polarity, suggesting Bractein may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bractein has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bractein?
The CAS number of Bractein is 22684-08-8.
What is the molecular formula of Bractein?
The molecular formula of Bractein is C21H20O12.
What is the molecular weight of Bractein?
The molecular weight of Bractein is 464.10 g/mol.
Where can I buy Bractein?
You can request a quote for Bractein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bractein?
Yes, KEHONG BIO provides custom synthesis services for Bractein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.