![2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid structure](/static/products/105/1054478-68-0.webp)
2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid
TL;DR: 2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid (CAS 1054478-68-0) is a chemical compound with molecular formula C18H12ClFN2O4 and molecular weight 374.04697 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid
Also Known As: 2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid, 2-(2-{2-[(3-chloro-4-fluorophenyl)carbamoyl]-2-cyanoeth-1-en-1-yl}phenoxy)acetic acid, 2-[2-[(E)-2-[(3-chloro-4-fluoro-phenyl)carbamoyl]-2-cyano-ethenyl]phenoxy]acetic Acid
Technical Specifications
| Molecular Formula | C18H12ClFN2O4 |
| Molecular Weight | 374.04697 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 99.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.04697 Da |
| Heavy Atoms | 26 |
| Complexity | 603.0 |
| SMILES | C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC(=C(C=C2)F)Cl)OCC(=O)O |
| InChIKey | WKLALFLTTRJPFI-KPKJPENVSA-N |
Chemical Property Profile of 2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid
Property Insights of 2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid
The XLogP value of 4.0 indicates that 2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid. Following Lipinski's Rule of Five, 2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid has 2 hydrogen bond donor(s) and 6 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-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid?
The CAS number of 2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid is 1054478-68-0.
What is the molecular formula of 2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid?
The molecular formula of 2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid is C18H12ClFN2O4.
What is the molecular weight of 2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid?
The molecular weight of 2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid is 374.04697 g/mol.
Where can I buy 2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid?
You can request a quote for 2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-[2-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.