4-阿魏酰奎尼酸
TL;DR: 4-阿魏酰奎尼酸 (CAS 2613-86-7) 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.
4-阿魏酰奎尼酸
1,3,5-trihydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid
Also Known As: 4-Feruoylquinic acid, 4-O-Feruloylquinic acid, 4-O-feruloyl-D-quinic acid, 1,3,5-Trihydroxy-4-(3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy)cyclohexane-1-carboxylic acid, 1,3,5-trihydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic 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 | 700.1851 |
Chemical Identifiers
| CAS Number | 2613-86-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=CC(=O)OC2C(CC(CC2O)(C(=O)O)O)O)O |
Product Overview
4-阿魏酰奎尼酸 (CAS 2613-86-7), with molecular formula C17H20O9 and molecular weight 368.11 g/mol. IUPAC: 1,3,5-trihydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 4-阿魏酰奎尼酸
Property Insights of 4-阿魏酰奎尼酸
The XLogP value of -0.3429 indicates that 4-阿魏酰奎尼酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.75 Ų indicates high polarity, suggesting 4-阿魏酰奎尼酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-阿魏酰奎尼酸 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 4-阿魏酰奎尼酸?
The CAS number of 4-阿魏酰奎尼酸 is 2613-86-7.
What is the molecular formula of 4-阿魏酰奎尼酸?
The molecular formula of 4-阿魏酰奎尼酸 is C17H20O9.
What is the molecular weight of 4-阿魏酰奎尼酸?
The molecular weight of 4-阿魏酰奎尼酸 is 368.11 g/mol.
Where can I buy 4-阿魏酰奎尼酸?
You can request a quote for 4-阿魏酰奎尼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-阿魏酰奎尼酸?
Yes, KEHONG BIO provides custom synthesis services for 4-阿魏酰奎尼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.