(+)-Catechin 3-Gallate
TL;DR: (+)-Catechin 3-Gallate (CAS 20819-16-3) 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,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: catechin gallate, (+)-Catechin gallate, (+)-Catechin 3-Gallate, Epicatechin gallate, catechin-3-o-gallate
| Molecular Formula | C22H18O10 |
|---|---|
| Molecular Weight | 442.09 g/mol |
| LogP | 2.5276 |
| Topological Polar Surface Area | 177.14 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.09 |
| Heavy Atoms | 32 |
| Complexity | 1196.5688 |
Chemical Identifiers
| CAS Number | 20819-16-3 |
|---|---|
| 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 |
Product Overview
(+)-Catechin 3-Gallate (CAS 20819-16-3), with molecular formula C22H18O10 and molecular weight 442.09 g/mol. IUPAC: [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of (+)-Catechin 3-Gallate
Property Insights of (+)-Catechin 3-Gallate
The XLogP value of 2.5276 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Catechin 3-Gallate. The TPSA of 177.14 Ų indicates high polarity, suggesting (+)-Catechin 3-Gallate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (+)-Catechin 3-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 (+)-Catechin 3-Gallate?
The CAS number of (+)-Catechin 3-Gallate is 20819-16-3.
What is the molecular formula of (+)-Catechin 3-Gallate?
The molecular formula of (+)-Catechin 3-Gallate is C22H18O10.
What is the molecular weight of (+)-Catechin 3-Gallate?
The molecular weight of (+)-Catechin 3-Gallate is 442.09 g/mol.
Where can I buy (+)-Catechin 3-Gallate?
You can request a quote for (+)-Catechin 3-Gallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Catechin 3-Gallate?
Yes, KEHONG BIO provides custom synthesis services for (+)-Catechin 3-Gallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.