2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid
TL;DR: 2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid (CAS 1217-67-0) is a chemical compound with molecular formula C12H12Cl2O4 and molecular weight 290.01126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-butanoyl-2,3-dichlorophenoxy)acetic acid
Also Known As: Etacrynic Acid EP Impurity A, Acetic acid, (2,3-dichloro-4-(1-oxobutyl)phenoxy)-, 2-(4-butanoyl-2,3-dichlorophenoxy)acetic acid, (4-butyryl-2,3-dichlorophenoxy)acetic acid, 4-Butyryl-2,3-dichlorophenoxyacetic acid
Technical Specifications
| Molecular Formula | C12H12Cl2O4 |
| Molecular Weight | 290.01126 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.01126 Da |
| Heavy Atoms | 18 |
| Complexity | 308.0 |
| SMILES | CCCC(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl |
| InChIKey | FQAYODYTZPXLRH-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid
Property Insights of 2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid
The XLogP value of 3.3 indicates that 2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic 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 2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid. Following Lipinski's Rule of Five, 2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic 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 2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid?
The CAS number of 2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid is 1217-67-0.
What is the molecular formula of 2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid?
The molecular formula of 2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid is C12H12Cl2O4.
What is the molecular weight of 2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid?
The molecular weight of 2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid is 290.01126 g/mol.
Where can I buy 2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid?
You can request a quote for 2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2,3-Dichloro-4-(1-oxobutyl)phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.