Catechin 7-O-gallate
TL;DR: Catechin 7-O-gallate (CAS 89702-01-2) 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)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate
Also Known As: Catechin 7-O-gallate, 7-o-galloylcatechin, (+)-Catechin-7-gallate, (+)-Catechin-7-O-gallate, J1.664.826D
| Molecular Formula | C22H18O10 |
|---|---|
| Molecular Weight | 442.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.09 |
| Heavy Atoms | 32 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 89702-01-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)C4=CC(=C(C=C4)O)O)O |
| InChIKey | WKIHBIBUCQPPBY-GHTZIAJQSA-N |
Product Overview
Catechin 7-O-gallate (CAS 89702-01-2), with molecular formula C22H18O10 and molecular weight 442.09 g/mol. IUPAC: [(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Catechin 7-O-gallate
Property Insights of Catechin 7-O-gallate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Catechin 7-O-gallate. The TPSA of 177.0 Ų indicates high polarity, suggesting Catechin 7-O-gallate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Catechin 7-O-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 7-O-gallate?
The CAS number of Catechin 7-O-gallate is 89702-01-2.
What is the molecular formula of Catechin 7-O-gallate?
The molecular formula of Catechin 7-O-gallate is C22H18O10.
What is the molecular weight of Catechin 7-O-gallate?
The molecular weight of Catechin 7-O-gallate is 442.09 g/mol.
Where can I buy Catechin 7-O-gallate?
You can request a quote for Catechin 7-O-gallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Catechin 7-O-gallate?
Yes, KEHONG BIO provides custom synthesis services for Catechin 7-O-gallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.