Epicatechin 3-O-(3-O-methylgallate)
TL;DR: Epicatechin 3-O-(3-O-methylgallate) (CAS 83104-86-3) is a chemical compound with molecular formula C23H20O10 and molecular weight 456.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4-dihydroxy-5-methoxybenzoate
Also Known As: Flavan-3-ol, Epicatechin 3-O-(3-O-methylgallate), (-)-ECG-3''-O-ME, (-)-Epicatechin-3-(3''-O-methyl) gallate, -ECG-3''-O-ME
| Molecular Formula | C23H20O10 |
|---|---|
| Molecular Weight | 456.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.10565 |
| Heavy Atoms | 33 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 83104-86-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)O)C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C=C4)O)O)O)O |
| InChIKey | XGTBMCGGGJLOPS-IFMALSPDSA-N |
Product Overview
Epicatechin 3-O-(3-O-methylgallate) (CAS 83104-86-3), with molecular formula C23H20O10 and molecular weight 456.11 g/mol. IUPAC: [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4-dihydroxy-5-methoxybenzoate.
Chemical Property Profile of Epicatechin 3-O-(3-O-methylgallate)
Property Insights of Epicatechin 3-O-(3-O-methylgallate)
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epicatechin 3-O-(3-O-methylgallate). The TPSA of 166.0 Ų indicates high polarity, suggesting Epicatechin 3-O-(3-O-methylgallate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epicatechin 3-O-(3-O-methylgallate) has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Epicatechin 3-O-(3-O-methylgallate)?
The CAS number of Epicatechin 3-O-(3-O-methylgallate) is 83104-86-3.
What is the molecular formula of Epicatechin 3-O-(3-O-methylgallate)?
The molecular formula of Epicatechin 3-O-(3-O-methylgallate) is C23H20O10.
What is the molecular weight of Epicatechin 3-O-(3-O-methylgallate)?
The molecular weight of Epicatechin 3-O-(3-O-methylgallate) is 456.11 g/mol.
Where can I buy Epicatechin 3-O-(3-O-methylgallate)?
You can request a quote for Epicatechin 3-O-(3-O-methylgallate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epicatechin 3-O-(3-O-methylgallate)?
Yes, KEHONG BIO provides custom synthesis services for Epicatechin 3-O-(3-O-methylgallate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.