Octadecyl caffeate
TL;DR: Octadecyl caffeate (CAS 69573-60-0) is a chemical compound with molecular formula C27H44O4 and molecular weight 432.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Octadecyl caffeate, Steryl caffeate, Octadecylcaffeate, n-octadecyl ester, n-octadecyl caffeate
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32 g/mol |
| LogP | 7.9157 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 609.254 |
Chemical Identifiers
| CAS Number | 69573-60-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)O |
Product Overview
Octadecyl caffeate (CAS 69573-60-0), with molecular formula C27H44O4 and molecular weight 432.32 g/mol. IUPAC: octadecyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Octadecyl caffeate
Property Insights of Octadecyl caffeate
The XLogP value of 7.9157 indicates that Octadecyl 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 Octadecyl caffeate. Following Lipinski's Rule of Five, Octadecyl 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 Octadecyl caffeate?
The CAS number of Octadecyl caffeate is 69573-60-0.
What is the molecular formula of Octadecyl caffeate?
The molecular formula of Octadecyl caffeate is C27H44O4.
What is the molecular weight of Octadecyl caffeate?
The molecular weight of Octadecyl caffeate is 432.32 g/mol.
Where can I buy Octadecyl caffeate?
You can request a quote for Octadecyl caffeate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecyl caffeate?
Yes, KEHONG BIO provides custom synthesis services for Octadecyl caffeate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.