没食子儿茶素没食子酸酯
TL;DR: 没食子儿茶素没食子酸酯 (CAS 5127-64-0) is a chemical compound with molecular formula C22H18O11 and molecular weight 458.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
没食子儿茶素没食子酸酯
[(2R,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: Gallocatechin gallate, (+)-Gallocatechin gallate, (+)-Gallocatechol gallate, gallocatechin-3-gallate, Gallocatechingallate
| Molecular Formula | C22H18O11 |
|---|---|
| Molecular Weight | 458.08 g/mol |
| LogP | 2.2332 |
| Topological Polar Surface Area | 197.37 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.0849 |
| Heavy Atoms | 33 |
| Complexity | 1221.4274 |
Chemical Identifiers
| CAS Number | 5127-64-0 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
Product Overview
没食子儿茶素没食子酸酯 (CAS 5127-64-0), with molecular formula C22H18O11 and molecular weight 458.08 g/mol. IUPAC: [(2R,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 没食子儿茶素没食子酸酯
Property Insights of 没食子儿茶素没食子酸酯
The XLogP value of 2.2332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 没食子儿茶素没食子酸酯. The TPSA of 197.37 Ų indicates high polarity, suggesting 没食子儿茶素没食子酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 没食子儿茶素没食子酸酯 has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 没食子儿茶素没食子酸酯?
The CAS number of 没食子儿茶素没食子酸酯 is 5127-64-0.
What is the molecular formula of 没食子儿茶素没食子酸酯?
The molecular formula of 没食子儿茶素没食子酸酯 is C22H18O11.
What is the molecular weight of 没食子儿茶素没食子酸酯?
The molecular weight of 没食子儿茶素没食子酸酯 is 458.08 g/mol.
Where can I buy 没食子儿茶素没食子酸酯?
You can request a quote for 没食子儿茶素没食子酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 没食子儿茶素没食子酸酯?
Yes, KEHONG BIO provides custom synthesis services for 没食子儿茶素没食子酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.