![[2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate structure](/static/products/1260/1260922-13-1.webp)
[2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate
TL;DR: [2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate (CAS 1260922-13-1) is a chemical compound with molecular formula C16H13ClFNO3 and molecular weight 321.0568 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate
Also Known As: [(4-chloro-2-fluorophenyl)carbamoyl]methyl 4-methylbenzoate|[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate|2-((4-chloro-2-fluorophenyl)amino)-2-oxoethyl 4-methylbenzoate|F6609-1773|(4-chloro-2-fluoro-phenyl)carbamoylmethyl 4-methylbenzoate|2-[(4-chloro-2-fluorophenyl)amino]-2-oxoethyl 4-methylbenzoate|STL075362
Technical Specifications
| Molecular Formula | C16H13ClFNO3 |
| Molecular Weight | 321.0568 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.0568 Da |
| Heavy Atoms | 22 |
| Complexity | 399.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F |
| InChIKey | XHZPJASNOWGPOU-UHFFFAOYSA-N |
Chemical Property Profile of [2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate
Property Insights of [2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate
The XLogP value of 3.9 indicates that [2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, [2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate 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-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate?
The CAS number of [2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate is 1260922-13-1.
What is the molecular formula of [2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate?
The molecular formula of [2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate is C16H13ClFNO3.
What is the molecular weight of [2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate?
The molecular weight of [2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate is 321.0568 g/mol.
Where can I buy [2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate?
You can request a quote for [2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate?
Yes, CoreyChem provides custom synthesis services for [2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.