Thalassiolin A
TL;DR: Thalassiolin A (CAS 207683-70-3) is a chemical compound with molecular formula C21H20O14S and molecular weight 528.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
Also Known As: Thalassiolin A, Luteolin 7-(2-sulfoglucoside), [(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-chromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] hydrogen sulfate, [(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate, [(2S,3R,4S,5S,6R)-2-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid
| Molecular Formula | C21H20O14S |
|---|---|
| Molecular Weight | 528.06 g/mol |
| LogP | -0.4174 |
| Topological Polar Surface Area | 233.65 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 528.0574 |
| Heavy Atoms | 36 |
| Complexity | 1448.9799 |
Chemical Identifiers
| CAS Number | 207683-70-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OS(=O)(=O)O)O)O)O |
Product Overview
Thalassiolin A (CAS 207683-70-3), with molecular formula C21H20O14S and molecular weight 528.06 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate.
Chemical Property Profile of Thalassiolin A
Property Insights of Thalassiolin A
The XLogP value of -0.4174 indicates that Thalassiolin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.65 Ų indicates high polarity, suggesting Thalassiolin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thalassiolin A has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thalassiolin A?
The CAS number of Thalassiolin A is 207683-70-3.
What is the molecular formula of Thalassiolin A?
The molecular formula of Thalassiolin A is C21H20O14S.
What is the molecular weight of Thalassiolin A?
The molecular weight of Thalassiolin A is 528.06 g/mol.
Where can I buy Thalassiolin A?
You can request a quote for Thalassiolin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalassiolin A?
Yes, KEHONG BIO provides custom synthesis services for Thalassiolin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.