TL;DR: N-((2,4-Dichlorophenoxy)acetyl)-L-alanine (CAS 50648-96-9) is a chemical compound with molecular formula C11H11Cl2NO4 and molecular weight 291.0065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoic acid
Also Known As: N-((2,4-Dichlorophenoxy)acetyl)-L-alanine, 2,4-Dichlorophenoxyacetylalanine, CBKinase1_000058, CBKinase1_012458, AURORA 437
| Molecular Formula | C11H11Cl2NO4 |
| Molecular Weight | 291.0065 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.0065 Da |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
| SMILES | CC(C(=O)O)NC(=O)COC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | SHQGIYUBFHJOPP-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((2,4-Dichlorophenoxy)acetyl)-L-alanine. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((2,4-Dichlorophenoxy)acetyl)-L-alanine. Following Lipinski's Rule of Five, N-((2,4-Dichlorophenoxy)acetyl)-L-alanine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-((2,4-Dichlorophenoxy)acetyl)-L-alanine is 50648-96-9.
The molecular formula of N-((2,4-Dichlorophenoxy)acetyl)-L-alanine is C11H11Cl2NO4.
The molecular weight of N-((2,4-Dichlorophenoxy)acetyl)-L-alanine is 291.0065 g/mol.
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