TL;DR: Isoleucine, N-(2,4-dichlorophenoxyacetyl)-, DL- (CAS 63905-57-7) is a chemical compound with molecular formula C14H17Cl2NO4 and molecular weight 333.05347 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-methylpentanoic acid
Also Known As: DL-N-(2,4-Dichlorophenoxyacetyl)isoleucine, N.alpha.-(2,4-D)-L-Isoleucine, ISOLEUCINE, N-(2,4-DICHLOROPHENOXYACETYL)-, DL-, N-[(2,4-Dichlorophenoxy)acetyl]isoleucine, L-, DL-Isoleucine, N-[(2,4-dichlorophenoxy)acetyl]-
| Molecular Formula | C14H17Cl2NO4 |
| Molecular Weight | 333.05347 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.05347 Da |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
| SMILES | CCC(C)C(C(=O)O)NC(=O)COC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | UGEZCBHKUBUEIT-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that Isoleucine, N-(2,4-dichlorophenoxyacetyl)-, 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 Isoleucine, N-(2,4-dichlorophenoxyacetyl)-, DL-. Following Lipinski's Rule of Five, Isoleucine, N-(2,4-dichlorophenoxyacetyl)-, 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 Isoleucine, N-(2,4-dichlorophenoxyacetyl)-, DL- is 63905-57-7.
The molecular formula of Isoleucine, N-(2,4-dichlorophenoxyacetyl)-, DL- is C14H17Cl2NO4.
The molecular weight of Isoleucine, N-(2,4-dichlorophenoxyacetyl)-, DL- is 333.05347 g/mol.
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