Acetovanillone
TL;DR: Acetovanillone (CAS 498-02-2) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-hydroxy-3-methoxyphenyl)ethanone
Also Known As: Acetovanillone, apocynin, Acetoguaiacone, Apocynine, Acetoguaiacon
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.06299 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.06299 Da |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
| SMILES | CC(=O)C1=CC(=C(C=C1)O)OC |
| InChIKey | DFYRUELUNQRZTB-UHFFFAOYSA-N |
Product Description
Applications: Acetovanillone 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Acetovanillone is a pharmaceutical intermediate identified by CAS number 498-02-2 and the molecular formula C9H10O3 and a molecular weight of 166.06 g/mol. Synonyms include Acetovanillone and apocynin.
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 Acetovanillone
Property Insights of Acetovanillone
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetovanillone. With a topological polar surface area (TPSA) of 46.5 Ų, Acetovanillone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetovanillone has 1 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 Acetovanillone?
The CAS number of Acetovanillone is 498-02-2.
What is the molecular formula of Acetovanillone?
The molecular formula of Acetovanillone is C9H10O3.
What is the molecular weight of Acetovanillone?
The molecular weight of Acetovanillone is 166.06299 g/mol.
What are the applications of Acetovanillone?
Acetovanillone 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. Available from CoreyChem as both catalog item and...
Where can I buy Acetovanillone?
You can request a quote for Acetovanillone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetovanillone?
Yes, CoreyChem provides custom synthesis services for Acetovanillone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.