Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester
TL;DR: Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester (CAS 126715-82-0) is a chemical compound with molecular formula C37H30O17 and molecular weight 746.15 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-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester, Epigallocatechin-(4beta->8)-epicatechin 3-O-gallate, Epigallocatechin(4b->8)epicatechin 3-O-gallate, Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate, [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
| Molecular Formula | C37H30O17 |
|---|---|
| Molecular Weight | 746.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 308.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 6 |
| Exact Mass | 746.1483 |
| Heavy Atoms | 54 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 126715-82-0 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O |
| InChIKey | LQQNPVZIFKLQPE-RGOYVLDUSA-N |
Product Overview
Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester (CAS 126715-82-0), with molecular formula C37H30O17 and molecular weight 746.15 g/mol. IUPAC: [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester
Property Insights of Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester
The XLogP value of 3.2 indicates that Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 308.0 Ų indicates high polarity, suggesting Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester has 13 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester?
The CAS number of Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester is 126715-82-0.
What is the molecular formula of Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester?
The molecular formula of Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester is C37H30O17.
What is the molecular weight of Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester?
The molecular weight of Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester is 746.15 g/mol.
Where can I buy Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester?
You can request a quote for Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester?
Yes, KEHONG BIO provides custom synthesis services for Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.