茶黃素-3-沒食子酸酯
TL;DR: 茶黃素-3-沒食子酸酯 (CAS 28543-07-9) is a chemical compound with molecular formula C36H28O16 and molecular weight 716.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茶黃素-3-沒食子酸酯
[(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: Theaflavin-3-gallate, Theaflavin 3-gallate, Theaflavin gallate, Theaflavin 2A, Theaflavin monogallate A
| Molecular Formula | C36H28O16 |
|---|---|
| Molecular Weight | 716.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 284.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 5 |
| Exact Mass | 716.13776 |
| Heavy Atoms | 52 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 28543-07-9 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C(C(=O)C=C(C=C34)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O |
| InChIKey | KMJPKUVSXFVQGZ-WQLSNUALSA-N |
Product Overview
茶黃素-3-沒食子酸酯 (CAS 28543-07-9), with molecular formula C36H28O16 and molecular weight 716.14 g/mol. IUPAC: [(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 茶黃素-3-沒食子酸酯
Property Insights of 茶黃素-3-沒食子酸酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 茶黃素-3-沒食子酸酯. The TPSA of 284.0 Ų indicates high polarity, suggesting 茶黃素-3-沒食子酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 茶黃素-3-沒食子酸酯 has 11 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 茶黃素-3-沒食子酸酯?
The CAS number of 茶黃素-3-沒食子酸酯 is 28543-07-9.
What is the molecular formula of 茶黃素-3-沒食子酸酯?
The molecular formula of 茶黃素-3-沒食子酸酯 is C36H28O16.
What is the molecular weight of 茶黃素-3-沒食子酸酯?
The molecular weight of 茶黃素-3-沒食子酸酯 is 716.14 g/mol.
Where can I buy 茶黃素-3-沒食子酸酯?
You can request a quote for 茶黃素-3-沒食子酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茶黃素-3-沒食子酸酯?
Yes, KEHONG BIO provides custom synthesis services for 茶黃素-3-沒食子酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.