咖啡醇醋酸酯
TL;DR: 咖啡醇醋酸酯 (CAS 81760-48-7) is a chemical compound with molecular formula C22H30O4 and molecular weight 358.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
咖啡醇醋酸酯
(17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-yl)methyl acetate
Also Known As: CAFESTOL ACETATE, Cafesterol acetate, CAFESTOLACETATE, Cafestol Acetate_major, Cafestol acetate, >=98%
| Molecular Formula | C22H30O4 |
|---|---|
| Molecular Weight | 358.21 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.21442 |
| Heavy Atoms | 26 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 81760-48-7 |
|---|---|
| SMILES | CC(=O)OCC1(CC23CCC4C5=C(CCC4(C2CCC1C3)C)OC=C5)O |
| InChIKey | PTGGVIKFNQSFBY-UHFFFAOYSA-N |
Product Overview
咖啡醇醋酸酯 (CAS 81760-48-7), with molecular formula C22H30O4 and molecular weight 358.21 g/mol. IUPAC: (17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-yl)methyl acetate.
Chemical Property Profile of 咖啡醇醋酸酯
Property Insights of 咖啡醇醋酸酯
The XLogP value of 3.9 indicates that 咖啡醇醋酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 咖啡醇醋酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 咖啡醇醋酸酯 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 咖啡醇醋酸酯?
The CAS number of 咖啡醇醋酸酯 is 81760-48-7.
What is the molecular formula of 咖啡醇醋酸酯?
The molecular formula of 咖啡醇醋酸酯 is C22H30O4.
What is the molecular weight of 咖啡醇醋酸酯?
The molecular weight of 咖啡醇醋酸酯 is 358.21 g/mol.
Where can I buy 咖啡醇醋酸酯?
You can request a quote for 咖啡醇醋酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 咖啡醇醋酸酯?
Yes, KEHONG BIO provides custom synthesis services for 咖啡醇醋酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.