Epiafzelechin 3-O-gallate
TL;DR: Epiafzelechin 3-O-gallate (CAS 108907-43-3) is a chemical compound with molecular formula C22H18O9 and molecular weight 426.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: Epiafzelechin 3-O-gallate, (-)-epiafzelechin 3-O-gallate, Flavan-3-ol, epiafzelechin 3-gallate, (-)-Epiafzelechin-3-O-gallate
| Molecular Formula | C22H18O9 |
|---|---|
| Molecular Weight | 426.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.0951 |
| Heavy Atoms | 31 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 108907-43-3 |
|---|---|
| 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 |
| InChIKey | SDZPYNMXGUHFMZ-TZIWHRDSSA-N |
Product Overview
Epiafzelechin 3-O-gallate (CAS 108907-43-3), with molecular formula C22H18O9 and molecular weight 426.10 g/mol. IUPAC: [(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Epiafzelechin 3-O-gallate
Property Insights of Epiafzelechin 3-O-gallate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epiafzelechin 3-O-gallate. The TPSA of 157.0 Ų indicates high polarity, suggesting Epiafzelechin 3-O-gallate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epiafzelechin 3-O-gallate 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 Epiafzelechin 3-O-gallate?
The CAS number of Epiafzelechin 3-O-gallate is 108907-43-3.
What is the molecular formula of Epiafzelechin 3-O-gallate?
The molecular formula of Epiafzelechin 3-O-gallate is C22H18O9.
What is the molecular weight of Epiafzelechin 3-O-gallate?
The molecular weight of Epiafzelechin 3-O-gallate is 426.10 g/mol.
Where can I buy Epiafzelechin 3-O-gallate?
You can request a quote for Epiafzelechin 3-O-gallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epiafzelechin 3-O-gallate?
Yes, KEHONG BIO provides custom synthesis services for Epiafzelechin 3-O-gallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.