Cafestol palmitate
TL;DR: Cafestol palmitate (CAS 86451-37-8) is a chemical compound with molecular formula C36H58O4 and molecular weight 554.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,12S,13R,16R,17R)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-yl]methyl hexadecanoate
Also Known As: Cafestol palmitate, KST-1A8620, [(3bs,7r,8r,10ar,10bs)-7-hydroxy-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-5a,8-methanocyclohepta[5,6]naphtho[2,1-b]furan-7-yl]methyl hexadecanoate
| Molecular Formula | C36H58O4 |
|---|---|
| Molecular Weight | 554.43 g/mol |
| LogP | 11.2 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 554.43353 |
| Heavy Atoms | 40 |
| Complexity | 813.0 |
Chemical Identifiers
| CAS Number | 86451-37-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@]1(CC23CC[C@@H]4C5=C(CC[C@]4([C@@H]2CC[C@@H]1C3)C)OC=C5)O |
| InChIKey | DGPMHJKMSANHDM-OGFNNVAASA-N |
Product Overview
Cafestol palmitate (CAS 86451-37-8), with molecular formula C36H58O4 and molecular weight 554.43 g/mol. IUPAC: [(4S,12S,13R,16R,17R)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-yl]methyl hexadecanoate.
Chemical Property Profile of Cafestol palmitate
Property Insights of Cafestol palmitate
The XLogP value of 11.2 indicates that Cafestol palmitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, Cafestol palmitate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cafestol palmitate has 1 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 Cafestol palmitate?
The CAS number of Cafestol palmitate is 86451-37-8.
What is the molecular formula of Cafestol palmitate?
The molecular formula of Cafestol palmitate is C36H58O4.
What is the molecular weight of Cafestol palmitate?
The molecular weight of Cafestol palmitate is 554.43 g/mol.
Where can I buy Cafestol palmitate?
You can request a quote for Cafestol palmitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cafestol palmitate?
Yes, KEHONG BIO provides custom synthesis services for Cafestol palmitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.