Methyl anisate
TL;DR: Methyl anisate (CAS 121-98-2) 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.
methyl 4-methoxybenzoate
Also Known As: METHYL 4-METHOXYBENZOATE, Methyl anisate, Methyl p-anisate, Methyl 4-Anisate, Methyl p-methoxybenzoate
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.06299 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 Da |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
| Melting Point | 48 °C |
| Boiling Point | 244.00 to 245.00 °C. @ 760.00 mm Hg |
| Solubility | 0.643 mg/mL at 20 °C |
| SMILES | COC1=CC=C(C=C1)C(=O)OC |
| InChIKey | DDIZAANNODHTRB-UHFFFAOYSA-N |
Product Description
Applications: Methyl anisate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Methyl anisate (CAS 121-98-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Methyl anisate (CAS 121-98-2) is a heterocyclic building block with the molecular formula C9H10O3 and a molecular weight of 166.06 g/mol. Key physical properties include a solubility: 0.643 mg/mL at 20 °C. It is also known as METHYL 4-METHOXYBENZOATE and Methyl anisate.
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 Methyl anisate
Property Insights of Methyl anisate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl anisate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl anisate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl anisate has 0 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 Methyl anisate?
The CAS number of Methyl anisate is 121-98-2.
What is the molecular formula of Methyl anisate?
The molecular formula of Methyl anisate is C9H10O3.
What is the molecular weight of Methyl anisate?
The molecular weight of Methyl anisate is 166.06299 g/mol.
What are the applications of Methyl anisate?
Methyl anisate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Methyl anisate (CAS 121-98-2) with...
Where can I buy Methyl anisate?
You can request a quote for Methyl anisate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl anisate?
Yes, CoreyChem provides custom synthesis services for Methyl anisate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.