4-O-Galloylquinic acid
TL;DR: 4-O-Galloylquinic acid (CAS 145163-52-6) is a chemical compound with molecular formula C14H16O10 and molecular weight 344.07434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trans-(3R,5R)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid
Also Known As: 4-Galloylquinic acid, 4-O-Galloylquinic acid, HY-N8592, (3R,5R)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid, (3R,5R)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid
Technical Specifications
| Molecular Formula | C14H16O10 |
| Molecular Weight | 344.07434 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 185.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.07434 Da |
| Heavy Atoms | 24 |
| Complexity | 470.0 |
| SMILES | C1[C@H](C([C@@H](CC1(C(=O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O |
| InChIKey | OGYBSNRRBNHPNK-LPSXRXAPSA-N |
Chemical Property Profile of 4-O-Galloylquinic acid
Property Insights of 4-O-Galloylquinic acid
The XLogP value of -1.2 indicates that 4-O-Galloylquinic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting 4-O-Galloylquinic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-O-Galloylquinic acid has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-O-Galloylquinic acid?
The CAS number of 4-O-Galloylquinic acid is 145163-52-6.
What is the molecular formula of 4-O-Galloylquinic acid?
The molecular formula of 4-O-Galloylquinic acid is C14H16O10.
What is the molecular weight of 4-O-Galloylquinic acid?
The molecular weight of 4-O-Galloylquinic acid is 344.07434 g/mol.
Where can I buy 4-O-Galloylquinic acid?
You can request a quote for 4-O-Galloylquinic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-O-Galloylquinic acid?
Yes, CoreyChem provides custom synthesis services for 4-O-Galloylquinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.