Methyl anisate
TL;DR: Methyl anisate (CAS 121-98-2) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methoxybenzoate
Also Known As: METHYL 4-METHOXYBENZOATE, Methyl anisate, Methyl p-anisate, Methyl 4-Anisate, Methyl p-methoxybenzoate
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| 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 |
Chemical Identifiers
| CAS Number | 121-98-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC |
| InChIKey | DDIZAANNODHTRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl anisate (CAS 121-98-2), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: methyl 4-methoxybenzoate.
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
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 166.06 g/mol.
Where can I buy Methyl anisate?
You can request a quote for Methyl anisate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl anisate?
Yes, KEHONG BIO provides custom synthesis services for Methyl anisate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.