cafestol
TL;DR: cafestol (CAS 469-83-0) is a chemical compound with molecular formula C20H28O3 and molecular weight 316.20386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol
Also Known As: cafestol, cafesterol, Coffeol, Cafestol_major, 17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol
Technical Specifications
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.20386 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.20386 Da |
| Heavy Atoms | 23 |
| Complexity | 507.0 |
| Melting Point | 160 - 162 °C |
| SMILES | CC12CCC3=C(C1CCC45C2CCC(C4)C(C5)(CO)O)C=CO3 |
| InChIKey | DNJVYWXIDISQRD-UHFFFAOYSA-N |
Product Description
Applications: cafestol is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
cafestol is a fine chemical identified by CAS number 469-83-0 and the molecular formula C20H28O3 and a molecular weight of 316.2 g/mol. Synonyms include cafestol and cafesterol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of cafestol
Property Insights of cafestol
The XLogP value of 3.3 indicates that cafestol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, cafestol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cafestol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of cafestol?
The CAS number of cafestol is 469-83-0.
What is the molecular formula of cafestol?
The molecular formula of cafestol is C20H28O3.
What is the molecular weight of cafestol?
The molecular weight of cafestol is 316.20386 g/mol.
What are the applications of cafestol?
cafestol is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy cafestol?
You can request a quote for cafestol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for cafestol?
Yes, CoreyChem provides custom synthesis services for cafestol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.