Ethyl anisate
TL;DR: Ethyl anisate (CAS 94-30-4) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methoxybenzoate
Also Known As: Ethyl 4-methoxybenzoate, Ethyl p-anisate, Ethyl anisate, Ethyl p-methoxybenzoate, p-Anisic acid, ethyl ester
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
| Melting Point | 7 - 8 °C |
| Boiling Point | 263.00 to 270.00 °C. @ 760.00 mm Hg |
| Density | 1.101-1.105 |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| Refractive Index | 1.522-1.528 |
Chemical Identifiers
| CAS Number | 94-30-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC |
| InChIKey | FHUODBDRWMIBQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl anisate (CAS 94-30-4), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: ethyl 4-methoxybenzoate.
Chemical Property Profile of Ethyl anisate
Property Insights of Ethyl anisate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl anisate. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl anisate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 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 Ethyl anisate?
The CAS number of Ethyl anisate is 94-30-4.
What is the molecular formula of Ethyl anisate?
The molecular formula of Ethyl anisate is C10H12O3.
What is the molecular weight of Ethyl anisate?
The molecular weight of Ethyl anisate is 180.08 g/mol.
Where can I buy Ethyl anisate?
You can request a quote for Ethyl anisate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl anisate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl anisate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.