Demethyloleuropein
TL;DR: Demethyloleuropein (CAS 52077-55-1) is a chemical compound with molecular formula C24H30O13 and molecular weight 526.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
Also Known As: Demethyloleuropein, Oleoeuropein acid, Demethyloleoeuropein, Demethyloleoeuropeine, (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
| Molecular Formula | C24H30O13 |
|---|---|
| Molecular Weight | 526.17 g/mol |
| LogP | -0.7226 |
| Topological Polar Surface Area | 212.67 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 526.16864 |
| Heavy Atoms | 37 |
| Complexity | 1033.4696 |
Chemical Identifiers
| CAS Number | 52077-55-1 |
|---|---|
| SMILES | C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O)CC(=O)OCCC3=CC(=C(C=C3)O)O |
Product Overview
Demethyloleuropein (CAS 52077-55-1), with molecular formula C24H30O13 and molecular weight 526.17 g/mol. IUPAC: (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid.
Chemical Property Profile of Demethyloleuropein
Property Insights of Demethyloleuropein
The XLogP value of -0.7226 indicates that Demethyloleuropein is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 212.67 Ų indicates high polarity, suggesting Demethyloleuropein may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Demethyloleuropein has 7 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 Demethyloleuropein?
The CAS number of Demethyloleuropein is 52077-55-1.
What is the molecular formula of Demethyloleuropein?
The molecular formula of Demethyloleuropein is C24H30O13.
What is the molecular weight of Demethyloleuropein?
The molecular weight of Demethyloleuropein is 526.17 g/mol.
Where can I buy Demethyloleuropein?
You can request a quote for Demethyloleuropein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethyloleuropein?
Yes, KEHONG BIO provides custom synthesis services for Demethyloleuropein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.