TL;DR: Alanine, N-(2,4-dichloro-phenoxyacetyl)-3-phenyl-, DL- (CAS 63905-33-9) is a chemical compound with molecular formula C17H15Cl2NO4 and molecular weight 367.0378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoic acid
Also Known As: DL-N-(2,4-Dichloro-phenoxyacetyl)-3-phenylalanine, 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoic acid, ALANINE, N-(2,4-DICHLORO-PHENOXYACETYL)-3-PHENYL-, DL-, AB00074514-01, DL-Phenylalanine, N-[(2,4-dichlorophenoxy)acetyl]-
| Molecular Formula | C17H15Cl2NO4 |
| Molecular Weight | 367.0378 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 367.0378 Da |
| Heavy Atoms | 24 |
| Complexity | 429.0 |
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)NC(=O)COC2=C(C=C(C=C2)Cl)Cl |
| InChIKey | YPUCAGJECDDDTR-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that Alanine, N-(2,4-dichloro-phenoxyacetyl)-3-phenyl-, DL- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, N-(2,4-dichloro-phenoxyacetyl)-3-phenyl-, DL-. Following Lipinski's Rule of Five, Alanine, N-(2,4-dichloro-phenoxyacetyl)-3-phenyl-, DL- 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 Alanine, N-(2,4-dichloro-phenoxyacetyl)-3-phenyl-, DL- is 63905-33-9.
The molecular formula of Alanine, N-(2,4-dichloro-phenoxyacetyl)-3-phenyl-, DL- is C17H15Cl2NO4.
The molecular weight of Alanine, N-(2,4-dichloro-phenoxyacetyl)-3-phenyl-, DL- is 367.0378 g/mol.
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