TL;DR: 3-(4-chlorophenyl)-2-(2-((4-ethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid (CAS 1214135-16-6) is a chemical compound with molecular formula C22H20ClNO6 and molecular weight 429.0979 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-2-[[2-(4-ethyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid
Also Known As: 3-(4-chlorophenyl)-2-(2-((4-ethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid, 4-chloro-N-{[(4-ethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}phenylalanine, 3-(4-chlorophenyl)-2-[[2-(4-ethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propanoic Acid, 3-(4-chlorophenyl)-2-[[2-(4-ethyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid
| Molecular Formula | C22H20ClNO6 |
| Molecular Weight | 429.0979 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.0979 Da |
| Heavy Atoms | 30 |
| Complexity | 673.0 |
| SMILES | CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O |
| InChIKey | XYFDJTUQSGZEOT-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 3-(4-chlorophenyl)-2-(2-((4-ethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-2-(2-((4-ethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-2-(2-((4-ethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-chlorophenyl)-2-(2-((4-ethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid is 1214135-16-6.
The molecular formula of 3-(4-chlorophenyl)-2-(2-((4-ethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid is C22H20ClNO6.
The molecular weight of 3-(4-chlorophenyl)-2-(2-((4-ethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid is 429.0979 g/mol.
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