Etacrynic Acid Ethyl Ester
TL;DR: Etacrynic Acid Ethyl Ester (CAS 23870-41-9) is a chemical compound with molecular formula C15H16Cl2O4 and molecular weight 330.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetate
Also Known As: Etacrynic Acid Ethyl Ester, Ethacrynic Acid Impurity 4, Ethyl 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetate, Etacrynic Acid Ethyl Ester; 2-[2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-Acetic acid ethyl ester; Acetic acid, [2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-, ethyl ester (9CI); Acetic acid, [2,3-dichloro-4-(2-methylenebutyryl)phenoxy]-, ethyl ester (8CI); 2-[2,3-Dichloro-4-(2-methylenebutyryl)phenoxy]acetic acid ethyl ester
| Molecular Formula | C15H16Cl2O4 |
|---|---|
| Molecular Weight | 330.04 g/mol |
| LogP | 4.0842 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 330.04257 |
| Heavy Atoms | 21 |
| Complexity | 567.0372 |
Chemical Identifiers
| CAS Number | 23870-41-9 |
|---|---|
| SMILES | CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)OCC)Cl)Cl |
Product Overview
Etacrynic Acid Ethyl Ester (CAS 23870-41-9), with molecular formula C15H16Cl2O4 and molecular weight 330.04 g/mol. IUPAC: ethyl 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetate.
Chemical Property Profile of Etacrynic Acid Ethyl Ester
Property Insights of Etacrynic Acid Ethyl Ester
The XLogP value of 4.0842 indicates that Etacrynic Acid Ethyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Etacrynic Acid Ethyl Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Etacrynic Acid Ethyl Ester 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
Frequently Asked Questions
What is the CAS number of Etacrynic Acid Ethyl Ester?
The CAS number of Etacrynic Acid Ethyl Ester is 23870-41-9.
What is the molecular formula of Etacrynic Acid Ethyl Ester?
The molecular formula of Etacrynic Acid Ethyl Ester is C15H16Cl2O4.
What is the molecular weight of Etacrynic Acid Ethyl Ester?
The molecular weight of Etacrynic Acid Ethyl Ester is 330.04 g/mol.
Where can I buy Etacrynic Acid Ethyl Ester?
You can request a quote for Etacrynic Acid Ethyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etacrynic Acid Ethyl Ester?
Yes, KEHONG BIO provides custom synthesis services for Etacrynic Acid Ethyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.