葡糖咖啡酸
TL;DR: 葡糖咖啡酸 (CAS 171866-15-2) is a chemical compound with molecular formula C15H18O9 and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
葡糖咖啡酸
(E)-3-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
Also Known As: Glucocaffeic acid, Glucocaffeate, Linocaffein, L-Threonine,N-acetyl, Caffeic acid 4-O-glucoside
| Molecular Formula | C15H18O9 |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | -1.3313 |
| Topological Polar Surface Area | 156.91 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.0951 |
| Heavy Atoms | 24 |
| Complexity | 612.96234 |
Chemical Identifiers
| CAS Number | 171866-15-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C/C(=O)O)O)OC2C(C(C(C(O2)CO)O)O)O |
Product Overview
葡糖咖啡酸 (CAS 171866-15-2), with molecular formula C15H18O9 and molecular weight 342.10 g/mol. IUPAC: (E)-3-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid.
Chemical Property Profile of 葡糖咖啡酸
Property Insights of 葡糖咖啡酸
The XLogP value of -1.3313 indicates that 葡糖咖啡酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.91 Ų indicates high polarity, suggesting 葡糖咖啡酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 葡糖咖啡酸 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 葡糖咖啡酸?
The CAS number of 葡糖咖啡酸 is 171866-15-2.
What is the molecular formula of 葡糖咖啡酸?
The molecular formula of 葡糖咖啡酸 is C15H18O9.
What is the molecular weight of 葡糖咖啡酸?
The molecular weight of 葡糖咖啡酸 is 342.10 g/mol.
Where can I buy 葡糖咖啡酸?
You can request a quote for 葡糖咖啡酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 葡糖咖啡酸?
Yes, KEHONG BIO provides custom synthesis services for 葡糖咖啡酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.