TL;DR: Acetic acid, (2,4-dichlorophenoxy)-, 2-(((methylamino)carbonyl)oxy)propyl ester (CAS 1154-72-9) is a chemical compound with molecular formula C13H15Cl2NO5 and molecular weight 335.0327 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(methylcarbamoyloxy)propyl 2-(2,4-dichlorophenoxy)acetate
Also Known As: 2-[(methylcarbamoyl)oxy]propyl(2,4-dichlorophenoxy)acetate, 2-(methylcarbamoyloxy)propyl 2-(2,4-dichlorophenoxy)acetate, 2-[Hydroxy(methylimino)methoxy]propyl (2,4-dichlorophenoxy)acetate, Acetic acid, (2,4-dichlorophenoxy)-, 2-(((methylamino)carbonyl)oxy)propyl ester
| Molecular Formula | C13H15Cl2NO5 |
| Molecular Weight | 335.0327 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 335.0327 Da |
| Heavy Atoms | 21 |
| Complexity | 355.0 |
| SMILES | CC(COC(=O)COC1=C(C=C(C=C1)Cl)Cl)OC(=O)NC |
| InChIKey | NNDSRYBNJSBOQR-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that Acetic acid, (2,4-dichlorophenoxy)-, 2-(((methylamino)carbonyl)oxy)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (2,4-dichlorophenoxy)-, 2-(((methylamino)carbonyl)oxy)propyl ester. Following Lipinski's Rule of Five, Acetic acid, (2,4-dichlorophenoxy)-, 2-(((methylamino)carbonyl)oxy)propyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetic acid, (2,4-dichlorophenoxy)-, 2-(((methylamino)carbonyl)oxy)propyl ester is 1154-72-9.
The molecular formula of Acetic acid, (2,4-dichlorophenoxy)-, 2-(((methylamino)carbonyl)oxy)propyl ester is C13H15Cl2NO5.
The molecular weight of Acetic acid, (2,4-dichlorophenoxy)-, 2-(((methylamino)carbonyl)oxy)propyl ester is 335.0327 g/mol.
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