Epigallocatechin 3,4',-di-O-gallate
TL;DR: Epigallocatechin 3,4',-di-O-gallate (CAS 89013-67-2) is a chemical compound with molecular formula C29H22O15 and molecular weight 610.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R)-2-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: Flavan-3-ol, 3,4'-di-O-gallate, Epigallocatechin 3,4',-di-O-gallate, Epigallocatechin 3,4'-di-gallate, 3,4'-Di-O-galloylepigallocatechin
| Molecular Formula | C29H22O15 |
|---|---|
| Molecular Weight | 610.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 264.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 610.0959 |
| Heavy Atoms | 44 |
| Complexity | 977.0 |
Chemical Identifiers
| CAS Number | 89013-67-2 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O |
| InChIKey | LPOACLRSLAMIRP-ZEQKJWHPSA-N |
Product Overview
Epigallocatechin 3,4',-di-O-gallate (CAS 89013-67-2), with molecular formula C29H22O15 and molecular weight 610.10 g/mol. IUPAC: [(2R,3R)-2-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Epigallocatechin 3,4',-di-O-gallate
Property Insights of Epigallocatechin 3,4',-di-O-gallate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epigallocatechin 3,4',-di-O-gallate. The TPSA of 264.0 Ų indicates high polarity, suggesting Epigallocatechin 3,4',-di-O-gallate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epigallocatechin 3,4',-di-O-gallate has 10 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Epigallocatechin 3,4',-di-O-gallate?
The CAS number of Epigallocatechin 3,4',-di-O-gallate is 89013-67-2.
What is the molecular formula of Epigallocatechin 3,4',-di-O-gallate?
The molecular formula of Epigallocatechin 3,4',-di-O-gallate is C29H22O15.
What is the molecular weight of Epigallocatechin 3,4',-di-O-gallate?
The molecular weight of Epigallocatechin 3,4',-di-O-gallate is 610.10 g/mol.
Where can I buy Epigallocatechin 3,4',-di-O-gallate?
You can request a quote for Epigallocatechin 3,4',-di-O-gallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epigallocatechin 3,4',-di-O-gallate?
Yes, KEHONG BIO provides custom synthesis services for Epigallocatechin 3,4',-di-O-gallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.