Ethyl 3,5-dimethoxybenzoate
TL;DR: Ethyl 3,5-dimethoxybenzoate (CAS 17275-82-0) is a chemical compound with molecular formula C11H14O4 and molecular weight 210.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3,5-dimethoxybenzoate
Also Known As: Ethyl 3,5-dimethoxybenzoate, 3,5-Dimethoxybenzoic acid ethyl ester, Benzoic acid, 3,5-dimethoxy-, ethyl ester, Ethyl-3,5-dimethoxy-benzoate, RARECHEM AL BI 0065
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.0892 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.0892 Da |
| Heavy Atoms | 15 |
| Complexity | 193.0 |
| SMILES | CCOC(=O)C1=CC(=CC(=C1)OC)OC |
| InChIKey | OKZIFGAAWSUMHS-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3,5-dimethoxybenzoate
Property Insights of Ethyl 3,5-dimethoxybenzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,5-dimethoxybenzoate. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl 3,5-dimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,5-dimethoxybenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 3,5-dimethoxybenzoate?
The CAS number of Ethyl 3,5-dimethoxybenzoate is 17275-82-0.
What is the molecular formula of Ethyl 3,5-dimethoxybenzoate?
The molecular formula of Ethyl 3,5-dimethoxybenzoate is C11H14O4.
What is the molecular weight of Ethyl 3,5-dimethoxybenzoate?
The molecular weight of Ethyl 3,5-dimethoxybenzoate is 210.0892 g/mol.
Where can I buy Ethyl 3,5-dimethoxybenzoate?
You can request a quote for Ethyl 3,5-dimethoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3,5-dimethoxybenzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.