茶黄素双没食子酸酯
TL;DR: 茶黄素双没食子酸酯 (CAS 33377-72-9) is a chemical compound with molecular formula C43H32O20 and molecular weight 868.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茶黄素双没食子酸酯
[(2R,3R)-2-[1-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,5-trihydroxy-6-oxobenzo[7]annulen-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: 8-Gingerol, Theaflavin digallate, Theaflavin 3, Theaflavin 3,3'-digallate, Theaflavine-3,3'-digallate
| Molecular Formula | C43H32O20 |
|---|---|
| Molecular Weight | 868.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 351.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 8 |
| Exact Mass | 868.1487 |
| Heavy Atoms | 63 |
| Complexity | 1950.0 |
Chemical Identifiers
| CAS Number | 33377-72-9 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O |
| InChIKey | ZEASWHWETFMWCV-ISBUVJFSSA-N |
Product Overview
茶黄素双没食子酸酯 (CAS 33377-72-9), with molecular formula C43H32O20 and molecular weight 868.15 g/mol. IUPAC: [(2R,3R)-2-[1-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,5-trihydroxy-6-oxobenzo[7]annulen-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 茶黄素双没食子酸酯
Property Insights of 茶黄素双没食子酸酯
The XLogP value of 3.0 indicates that 茶黄素双没食子酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 351.0 Ų indicates high polarity, suggesting 茶黄素双没食子酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 茶黄素双没食子酸酯 has 13 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 茶黄素双没食子酸酯?
The CAS number of 茶黄素双没食子酸酯 is 33377-72-9.
What is the molecular formula of 茶黄素双没食子酸酯?
The molecular formula of 茶黄素双没食子酸酯 is C43H32O20.
What is the molecular weight of 茶黄素双没食子酸酯?
The molecular weight of 茶黄素双没食子酸酯 is 868.15 g/mol.
Where can I buy 茶黄素双没食子酸酯?
You can request a quote for 茶黄素双没食子酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茶黄素双没食子酸酯?
Yes, KEHONG BIO provides custom synthesis services for 茶黄素双没食子酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.