Caffeic acid tetramer
TL;DR: Caffeic acid tetramer (CAS 130286-75-8) is a chemical compound with molecular formula C36H30O16 and molecular weight 718.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(1S,2R)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
Also Known As: Rabdosiin, HIV-IN-8, CAFFEIC ACID TETRAMER, (1S,2R)-Rabdosiin, HY-N12082
| Molecular Formula | C36H30O16 |
|---|---|
| Molecular Weight | 718.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 289.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 13 |
| Exact Mass | 718.1534 |
| Heavy Atoms | 52 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 130286-75-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)[C@@H]2[C@H](C3=CC(=C(C=C3C=C2C(=O)O[C@H](CC4=CC(=C(C=C4)O)O)C(=O)O)O)O)C5=CC(=C(C=C5)O)O)O)O |
| InChIKey | VKWZFIDWHLCPHJ-ZRTHHSRSSA-N |
Product Overview
Caffeic acid tetramer (CAS 130286-75-8), with molecular formula C36H30O16 and molecular weight 718.15 g/mol. IUPAC: (2R)-2-[(1S,2R)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid.
Chemical Property Profile of Caffeic acid tetramer
Property Insights of Caffeic acid tetramer
The XLogP value of 3.9 indicates that Caffeic acid tetramer is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 289.0 Ų indicates high polarity, suggesting Caffeic acid tetramer may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Caffeic acid tetramer has 10 hydrogen bond donor(s) and 16 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 tetramer?
The CAS number of Caffeic acid tetramer is 130286-75-8.
What is the molecular formula of Caffeic acid tetramer?
The molecular formula of Caffeic acid tetramer is C36H30O16.
What is the molecular weight of Caffeic acid tetramer?
The molecular weight of Caffeic acid tetramer is 718.15 g/mol.
Where can I buy Caffeic acid tetramer?
You can request a quote for Caffeic acid tetramer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caffeic acid tetramer?
Yes, KEHONG BIO provides custom synthesis services for Caffeic acid tetramer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.