Eicosanyl caffeate
TL;DR: Eicosanyl caffeate (CAS 905726-67-2) is a chemical compound with molecular formula C29H48O4 and molecular weight 460.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
icosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Eicosanyl caffeate, eicosyl caffeate, Eicosanylcaffeate, Eicosanyl (E)-caffeate, Caffeic acid eicosyl ester
| Molecular Formula | C29H48O4 |
|---|---|
| Molecular Weight | 460.36 g/mol |
| LogP | 8.6959 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 460.35526 |
| Heavy Atoms | 33 |
| Complexity | 638.5091 |
Chemical Identifiers
| CAS Number | 905726-67-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)O |
Product Overview
Eicosanyl caffeate (CAS 905726-67-2), with molecular formula C29H48O4 and molecular weight 460.36 g/mol. IUPAC: icosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Eicosanyl caffeate
Property Insights of Eicosanyl caffeate
The XLogP value of 8.6959 indicates that Eicosanyl caffeate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Eicosanyl caffeate. Following Lipinski's Rule of Five, Eicosanyl caffeate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Eicosanyl caffeate?
The CAS number of Eicosanyl caffeate is 905726-67-2.
What is the molecular formula of Eicosanyl caffeate?
The molecular formula of Eicosanyl caffeate is C29H48O4.
What is the molecular weight of Eicosanyl caffeate?
The molecular weight of Eicosanyl caffeate is 460.36 g/mol.
Where can I buy Eicosanyl caffeate?
You can request a quote for Eicosanyl caffeate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eicosanyl caffeate?
Yes, KEHONG BIO provides custom synthesis services for Eicosanyl caffeate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.