Arbutin monoester
TL;DR: Arbutin monoester (CAS 159946-47-1) is a chemical compound with molecular formula C20H19NO3 and molecular weight 321.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline
Also Known As: Arbutin monoester, NCI60_034316, 4-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline, 4-(2-(3,4,5-Trimethoxyphenyl)vinyl)quinoline, Quinoline,4-[2-(3,4,5-trimethoxyphenyl)ethenyl]-
Technical Specifications
| Molecular Formula | C20H19NO3 |
| Molecular Weight | 321.1365 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.1365 Da |
| Heavy Atoms | 24 |
| Complexity | 400.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C=CC2=CC=NC3=CC=CC=C23 |
| InChIKey | PAZAXHPAPRUCGE-UHFFFAOYSA-N |
Chemical Property Profile of Arbutin monoester
Property Insights of Arbutin monoester
The XLogP value of 4.4 indicates that Arbutin monoester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, Arbutin monoester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Arbutin monoester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Arbutin monoester?
The CAS number of Arbutin monoester is 159946-47-1.
What is the molecular formula of Arbutin monoester?
The molecular formula of Arbutin monoester is C20H19NO3.
What is the molecular weight of Arbutin monoester?
The molecular weight of Arbutin monoester is 321.1365 g/mol.
Where can I buy Arbutin monoester?
You can request a quote for Arbutin monoester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Arbutin monoester?
Yes, CoreyChem provides custom synthesis services for Arbutin monoester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.