Epigallocatechin 3-O-p-coumarate
TL;DR: Epigallocatechin 3-O-p-coumarate (CAS 89013-65-0) is a chemical compound with molecular formula C24H20O9 and molecular weight 452.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: Epigallocatechin 3-O-p-coumarate
| Molecular Formula | C24H20O9 |
|---|---|
| Molecular Weight | 452.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.11072 |
| Heavy Atoms | 33 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 89013-65-0 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C=CC4=CC=C(C=C4)O |
| InChIKey | HKPGWUPXXPIOAN-ZJSXRUAMSA-N |
Product Overview
Epigallocatechin 3-O-p-coumarate (CAS 89013-65-0), with molecular formula C24H20O9 and molecular weight 452.11 g/mol. IUPAC: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Epigallocatechin 3-O-p-coumarate
Property Insights of Epigallocatechin 3-O-p-coumarate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epigallocatechin 3-O-p-coumarate. The TPSA of 157.0 Ų indicates high polarity, suggesting Epigallocatechin 3-O-p-coumarate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epigallocatechin 3-O-p-coumarate has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Epigallocatechin 3-O-p-coumarate?
The CAS number of Epigallocatechin 3-O-p-coumarate is 89013-65-0.
What is the molecular formula of Epigallocatechin 3-O-p-coumarate?
The molecular formula of Epigallocatechin 3-O-p-coumarate is C24H20O9.
What is the molecular weight of Epigallocatechin 3-O-p-coumarate?
The molecular weight of Epigallocatechin 3-O-p-coumarate is 452.11 g/mol.
Where can I buy Epigallocatechin 3-O-p-coumarate?
You can request a quote for Epigallocatechin 3-O-p-coumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epigallocatechin 3-O-p-coumarate?
Yes, KEHONG BIO provides custom synthesis services for Epigallocatechin 3-O-p-coumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.