Anisylacetone
TL;DR: Anisylacetone (CAS 104-20-1) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-methoxyphenyl)butan-2-one
Also Known As: Anisylacetone, 4-(4-Methoxyphenyl)-2-butanone, 4-(4-Methoxyphenyl)butan-2-one, Methyl oxanone, 4-Methoxybenzylacetone
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.09938 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.09938 Da |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
| Melting Point | 9 - 10 °C |
| Boiling Point | 152.00 to 153.00 °C. @ 15.00 mm Hg |
| Density | 1.041-1.050 |
| Refractive Index | 1.515-1.525 |
| Solubility | very slightly |
| SMILES | CC(=O)CCC1=CC=C(C=C1)OC |
| InChIKey | PCBSXBYCASFXTM-UHFFFAOYSA-N |
Product Description
Applications: Anisylacetone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Anisylacetone (CAS 104-20-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Anisylacetone (CAS 104-20-1) has the molecular formula C11H14O2 and a molecular weight of 178.1 g/mol. Reported properties include a density of 1.041-1.050 g/cm³, a solubility: very slightly. It is also known as Anisylacetone and 4-(4-Methoxyphenyl)-2-butanone.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Anisylacetone
Property Insights of Anisylacetone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anisylacetone. With a topological polar surface area (TPSA) of 26.3 Ų, Anisylacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anisylacetone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Anisylacetone?
The CAS number of Anisylacetone is 104-20-1.
What is the molecular formula of Anisylacetone?
The molecular formula of Anisylacetone is C11H14O2.
What is the molecular weight of Anisylacetone?
The molecular weight of Anisylacetone is 178.09938 g/mol.
What are the applications of Anisylacetone?
Anisylacetone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Anisylacetone (CAS 104-20-1) with custom...
Where can I buy Anisylacetone?
You can request a quote for Anisylacetone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Anisylacetone?
Yes, CoreyChem provides custom synthesis services for Anisylacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.