Epigallocatechin 3-O-(3-O-methyl)gallate
TL;DR: Epigallocatechin 3-O-(3-O-methyl)gallate (CAS 83104-87-4) is a chemical compound with molecular formula C23H20O11 and molecular weight 472.10 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-dihydroxy-5-methoxybenzoate
Also Known As: (-)-EGCG-3''-O-Me, Egcg3''me, Epigallocatechin 3-O-(3-O-methyl)gallate, (-)-Epigallocatechin-3-(3''-O-methyl) gallate, EGCG3 Me
| Molecular Formula | C23H20O11 |
|---|---|
| Molecular Weight | 472.10 g/mol |
| LogP | 2.5362 |
| Topological Polar Surface Area | 186.37 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.10056 |
| Heavy Atoms | 34 |
| Complexity | 1261.3885 |
Chemical Identifiers
| CAS Number | 83104-87-4 |
|---|---|
| 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)O |
Product Overview
Epigallocatechin 3-O-(3-O-methyl)gallate (CAS 83104-87-4), with molecular formula C23H20O11 and molecular weight 472.10 g/mol. IUPAC: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4-dihydroxy-5-methoxybenzoate.
Chemical Property Profile of Epigallocatechin 3-O-(3-O-methyl)gallate
Property Insights of Epigallocatechin 3-O-(3-O-methyl)gallate
The XLogP value of 2.5362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epigallocatechin 3-O-(3-O-methyl)gallate. The TPSA of 186.37 Ų indicates high polarity, suggesting Epigallocatechin 3-O-(3-O-methyl)gallate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epigallocatechin 3-O-(3-O-methyl)gallate has 7 hydrogen bond donor(s) and 11 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-(3-O-methyl)gallate?
The CAS number of Epigallocatechin 3-O-(3-O-methyl)gallate is 83104-87-4.
What is the molecular formula of Epigallocatechin 3-O-(3-O-methyl)gallate?
The molecular formula of Epigallocatechin 3-O-(3-O-methyl)gallate is C23H20O11.
What is the molecular weight of Epigallocatechin 3-O-(3-O-methyl)gallate?
The molecular weight of Epigallocatechin 3-O-(3-O-methyl)gallate is 472.10 g/mol.
Where can I buy Epigallocatechin 3-O-(3-O-methyl)gallate?
You can request a quote for Epigallocatechin 3-O-(3-O-methyl)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-O-(3-O-methyl)gallate?
Yes, KEHONG BIO provides custom synthesis services for Epigallocatechin 3-O-(3-O-methyl)gallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.