(2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate
TL;DR: (2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate (CAS 1022922-92-4) is a chemical compound with molecular formula C22H18ClNO4S and molecular weight 427.0645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate
Also Known As: (2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate, 2-oxo-2-(2-thienyl)ethyl 2-[(2-chlorophenyl)amino]-4-oxo-4-phenylbutanoate, 2-(2-chloroanilino)-4-oxo-4-phenylbutanoic acid (2-oxo-2-thiophen-2-ylethyl) ester, 2-oxo-2-(thiophen-2-yl)ethyl 2-[(2-chlorophenyl)amino]-4-oxo-4-phenylbutanoate, 2-(2-chloroanilino)-4-keto-4-phenyl-butyric acid [2-keto-2-(2-thienyl)ethyl] ester
Technical Specifications
| Molecular Formula | C22H18ClNO4S |
| Molecular Weight | 427.0645 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 427.0645 Da |
| Heavy Atoms | 29 |
| Complexity | 581.0 |
| SMILES | C1=CC=C(C=C1)C(=O)CC(C(=O)OCC(=O)C2=CC=CS2)NC3=CC=CC=C3Cl |
| InChIKey | XUEJLVAMACFDKR-UHFFFAOYSA-N |
Chemical Property Profile of (2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate
Property Insights of (2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate
The XLogP value of 5.8 indicates that (2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate. Following Lipinski's Rule of Five, (2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate?
The CAS number of (2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate is 1022922-92-4.
What is the molecular formula of (2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate?
The molecular formula of (2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate is C22H18ClNO4S.
What is the molecular weight of (2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate?
The molecular weight of (2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate is 427.0645 g/mol.
Where can I buy (2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate?
You can request a quote for (2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate?
Yes, CoreyChem provides custom synthesis services for (2-oxo-2-thiophen-2-ylethyl) 2-(2-chloroanilino)-4-oxo-4-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.