1,3,4,5-Tetracaffeoylquinic acid
TL;DR: 1,3,4,5-Tetracaffeoylquinic acid (CAS 158364-86-4) is a chemical compound with molecular formula C43H36O18 and molecular weight 840.1902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trans-(3R,5R)-1,3,4,5-tetrakis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]cyclohexane-1-carboxylic acid
Also Known As: 1,3,4,5-Tetracaffeoylquinic acid, MEGxp0_000340, ACon1_001710, 1,3,4,5-Tetracaffeoyl quinic acid, J1.086.155A
Technical Specifications
| Molecular Formula | C43H36O18 |
| Molecular Weight | 840.1902 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 304.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 17 |
| Exact Mass | 840.1902 Da |
| Heavy Atoms | 61 |
| Complexity | 1600.0 |
| SMILES | C1C(C[C@H](C([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)(OC(=O)/C=C/C5=CC(=C(C=C5)O)O)C(=O)O |
| InChIKey | VTHDRBWIVRFQKI-ACGCXUJOSA-N |
Chemical Property Profile of 1,3,4,5-Tetracaffeoylquinic acid
Property Insights of 1,3,4,5-Tetracaffeoylquinic acid
The XLogP value of 5.4 indicates that 1,3,4,5-Tetracaffeoylquinic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 304.0 Ų indicates high polarity, suggesting 1,3,4,5-Tetracaffeoylquinic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,4,5-Tetracaffeoylquinic acid has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,3,4,5-Tetracaffeoylquinic acid?
The CAS number of 1,3,4,5-Tetracaffeoylquinic acid is 158364-86-4.
What is the molecular formula of 1,3,4,5-Tetracaffeoylquinic acid?
The molecular formula of 1,3,4,5-Tetracaffeoylquinic acid is C43H36O18.
What is the molecular weight of 1,3,4,5-Tetracaffeoylquinic acid?
The molecular weight of 1,3,4,5-Tetracaffeoylquinic acid is 840.1902 g/mol.
Where can I buy 1,3,4,5-Tetracaffeoylquinic acid?
You can request a quote for 1,3,4,5-Tetracaffeoylquinic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,4,5-Tetracaffeoylquinic acid?
Yes, CoreyChem provides custom synthesis services for 1,3,4,5-Tetracaffeoylquinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.