Epicatechin Gallate
TL;DR: Epicatechin Gallate (CAS 1257-08-5) is a chemical compound with molecular formula C22H18O10 and molecular weight 442.09 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] 3,4,5-trihydroxybenzoate
Also Known As: (-)-Epicatechin gallate, Epicatechin gallate, (-)-epicatechingallate, (-)-Epicatechin-3-O-gallate, Teatannin
| Molecular Formula | C22H18O10 |
|---|---|
| Molecular Weight | 442.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.09 |
| Heavy Atoms | 32 |
| Complexity | 649.0 |
| Melting Point | 257 - 258 °C |
Chemical Identifiers
| CAS Number | 1257-08-5 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| InChIKey | LSHVYAFMTMFKBA-TZIWHRDSSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Epicatechin Gallate (CAS 1257-08-5), with molecular formula C22H18O10 and molecular weight 442.09 g/mol. IUPAC: [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Epicatechin Gallate
Property Insights of Epicatechin Gallate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epicatechin Gallate. The TPSA of 177.0 Ų indicates high polarity, suggesting Epicatechin Gallate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epicatechin Gallate has 7 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 Gallate?
The CAS number of Epicatechin Gallate is 1257-08-5.
What is the molecular formula of Epicatechin Gallate?
The molecular formula of Epicatechin Gallate is C22H18O10.
What is the molecular weight of Epicatechin Gallate?
The molecular weight of Epicatechin Gallate is 442.09 g/mol.
Where can I buy Epicatechin Gallate?
You can request a quote for Epicatechin Gallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epicatechin Gallate?
Yes, KEHONG BIO provides custom synthesis services for Epicatechin Gallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.