3-O-Feruloylquinic acid
TL;DR: 3-O-Feruloylquinic acid (CAS 1899-29-2) is a chemical compound with molecular formula C17H20O9 and molecular weight 368.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
Also Known As: 3-O-Feruloylquinic acid, 5-Feruoylquinic acid, 3-Feruloylquinic acid, (1S,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid, (1alpha,3alpha,4alpha,5beta)-1,3,4-Trihydroxy-5-((3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)cyclohexanecarboxylic acid
| Molecular Formula | C17H20O9 |
|---|---|
| Molecular Weight | 368.11 g/mol |
| LogP | -0.3429 |
| Topological Polar Surface Area | 153.75 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.11072 |
| Heavy Atoms | 26 |
| Complexity | 714.1851 |
Chemical Identifiers
| CAS Number | 1899-29-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2C[C@@](C[C@@H]([C@@H]2O)O)(C(=O)O)O)O |
Product Overview
3-O-Feruloylquinic acid (CAS 1899-29-2), with molecular formula C17H20O9 and molecular weight 368.11 g/mol. IUPAC: (1S,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid.
Chemical Property Profile of 3-O-Feruloylquinic acid
Property Insights of 3-O-Feruloylquinic acid
The XLogP value of -0.3429 indicates that 3-O-Feruloylquinic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.75 Ų indicates high polarity, suggesting 3-O-Feruloylquinic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-O-Feruloylquinic acid has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-O-Feruloylquinic acid?
The CAS number of 3-O-Feruloylquinic acid is 1899-29-2.
What is the molecular formula of 3-O-Feruloylquinic acid?
The molecular formula of 3-O-Feruloylquinic acid is C17H20O9.
What is the molecular weight of 3-O-Feruloylquinic acid?
The molecular weight of 3-O-Feruloylquinic acid is 368.11 g/mol.
Where can I buy 3-O-Feruloylquinic acid?
You can request a quote for 3-O-Feruloylquinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Feruloylquinic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Feruloylquinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.