Quadrangularin A
TL;DR: Quadrangularin A (CAS 252557-25-8) is a chemical compound with molecular formula C28H22O6 and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E,2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
Also Known As: quadrangularin A, Cyphostemmin B, Ampelopsin D, J1.017.186E, (1E,2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
| Molecular Formula | C28H22O6 |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 5.3901 |
| Topological Polar Surface Area | 121.38 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.14163 |
| Heavy Atoms | 34 |
| Complexity | 1384.2628 |
Chemical Identifiers
| CAS Number | 252557-25-8 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/2\[C@H]([C@@H](C3=C2C=C(C=C3O)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O |
Product Overview
Quadrangularin A (CAS 252557-25-8), with molecular formula C28H22O6 and molecular weight 454.14 g/mol. IUPAC: (1E,2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol.
Chemical Property Profile of Quadrangularin A
Property Insights of Quadrangularin A
The XLogP value of 5.3901 indicates that Quadrangularin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Quadrangularin A. Following Lipinski's Rule of Five, Quadrangularin A has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quadrangularin A?
The CAS number of Quadrangularin A is 252557-25-8.
What is the molecular formula of Quadrangularin A?
The molecular formula of Quadrangularin A is C28H22O6.
What is the molecular weight of Quadrangularin A?
The molecular weight of Quadrangularin A is 454.14 g/mol.
Where can I buy Quadrangularin A?
You can request a quote for Quadrangularin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quadrangularin A?
Yes, KEHONG BIO provides custom synthesis services for Quadrangularin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.