Ethacrynic Acid
TL;DR: Ethacrynic Acid (CAS 58-54-8) is a chemical compound with molecular formula C13H12Cl2O4 and molecular weight 302.01126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
依他尼酸
2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid
Also Known As: ETHACRYNIC ACID, Etacrynic Acid, ethacrynate, Etacrinic acid, Hydromedin
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H12Cl2O4 |
| Molecular Weight | 302.01126 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.01126 Da |
| Heavy Atoms | 19 |
| Complexity | 370.0 |
| Melting Point | 252 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 75 °F (NTP, 1992) |
| SMILES | CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl |
| InChIKey | AVOLMBLBETYQHX-UHFFFAOYSA-N |
Product Description
Applications: Ethacrynic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Ethacrynic Acid is a pharmaceutical intermediate identified by CAS number 58-54-8 and the molecular formula C13H12Cl2O4 and a molecular weight of 302.01 g/mol. Physically, the compound has a solubility: less than 1 mg/mL at 75 °F (NTP, 1992). Synonyms include ETHACRYNIC ACID and Etacrynic Acid.
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 Ethacrynic Acid
Property Insights of Ethacrynic Acid
The XLogP value of 3.8 indicates that Ethacrynic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethacrynic Acid. Following Lipinski's Rule of Five, Ethacrynic Acid has 1 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 Ethacrynic Acid?
The CAS number of Ethacrynic Acid is 58-54-8.
What is the molecular formula of Ethacrynic Acid?
The molecular formula of Ethacrynic Acid is C13H12Cl2O4.
What is the molecular weight of Ethacrynic Acid?
The molecular weight of Ethacrynic Acid is 302.01126 g/mol.
What are the applications of Ethacrynic Acid?
Ethacrynic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Ethacrynic Acid?
You can request a quote for Ethacrynic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethacrynic Acid?
Yes, CoreyChem provides custom synthesis services for Ethacrynic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.