Caffeic acid 3-(beta-1-glucoside)
TL;DR: Caffeic acid 3-(beta-1-glucoside) (CAS 24959-81-7) 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.
3-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
Also Known As: Caffeic acid 3-glucoside, Caffeic acid 3-beta-D-glucoside, Caffeic Acid 3- beta -D-Glucoside, Caffeic acid 3-(beta-1-glucoside), CAFFEIC ACID 3-O-B-D-GLUCOPYRANOSIDE
| Molecular Formula | C15H18O9 |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.0951 |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 24959-81-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O |
| InChIKey | QOPSZFXPZWQLOG-TVKJYDDYSA-N |
Product Overview
Caffeic acid 3-(beta-1-glucoside) (CAS 24959-81-7), with molecular formula C15H18O9 and molecular weight 342.10 g/mol. IUPAC: 3-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid.
Chemical Property Profile of Caffeic acid 3-(beta-1-glucoside)
Property Insights of Caffeic acid 3-(beta-1-glucoside)
The XLogP value of -1.4 indicates that Caffeic acid 3-(beta-1-glucoside) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting Caffeic acid 3-(beta-1-glucoside) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Caffeic acid 3-(beta-1-glucoside) has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Caffeic acid 3-(beta-1-glucoside)?
The CAS number of Caffeic acid 3-(beta-1-glucoside) is 24959-81-7.
What is the molecular formula of Caffeic acid 3-(beta-1-glucoside)?
The molecular formula of Caffeic acid 3-(beta-1-glucoside) is C15H18O9.
What is the molecular weight of Caffeic acid 3-(beta-1-glucoside)?
The molecular weight of Caffeic acid 3-(beta-1-glucoside) is 342.10 g/mol.
Where can I buy Caffeic acid 3-(beta-1-glucoside)?
You can request a quote for Caffeic acid 3-(beta-1-glucoside) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caffeic acid 3-(beta-1-glucoside)?
Yes, KEHONG BIO provides custom synthesis services for Caffeic acid 3-(beta-1-glucoside) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.