Methyl 4-ethoxybenzoate
TL;DR: Methyl 4-ethoxybenzoate (CAS 23676-08-6) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-ethoxybenzoate
Also Known As: Methyl 4-ethoxybenzoate, Methyl p-ethoxybenzoate, Tinofedrine, 4-Ethoxybenzoic acid methyl ester, Methyl4-ethoxybenzoate
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.07864 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 Da |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
| SMILES | CCOC1=CC=C(C=C1)C(=O)OC |
| InChIKey | RNHXTCZZACTEMK-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-ethoxybenzoate
Property Insights of Methyl 4-ethoxybenzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-ethoxybenzoate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 4-ethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-ethoxybenzoate 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 4-ethoxybenzoate?
The CAS number of Methyl 4-ethoxybenzoate is 23676-08-6.
What is the molecular formula of Methyl 4-ethoxybenzoate?
The molecular formula of Methyl 4-ethoxybenzoate is C10H12O3.
What is the molecular weight of Methyl 4-ethoxybenzoate?
The molecular weight of Methyl 4-ethoxybenzoate is 180.07864 g/mol.
Where can I buy Methyl 4-ethoxybenzoate?
You can request a quote for Methyl 4-ethoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-ethoxybenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.