TL;DR: Acetic acid, 2-(o-chlorophenyl)-2-(triethylsiloxy)-, ethyl ester (CAS 85905-76-6) is a chemical compound with molecular formula C16H25ClO3Si and molecular weight 328.12616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(2-chlorophenyl)-2-triethylsilyloxyacetate
Also Known As: 2-(o-Chlorophenyl)-2-(triethylsiloxy)acetic acid ethyl ester, ethyl 2-(2-chlorophenyl)-2-triethylsilyloxyacetate, ACETIC ACID, 2-(o-CHLOROPHENYL)-2-(TRIETHYLSILOXY)-, ETHYL ESTER, Benzeneacetic acid, 2-chloro-alpha-((triethylsilyl)oxy)-, ethyl ester, Ethyl (2-chlorophenyl)[(triethylsilyl)oxy]acetate
| Molecular Formula | C16H25ClO3Si |
| Molecular Weight | 328.12616 g/mol |
| XLogP | 4.97 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 328.12616 Da |
| Heavy Atoms | 21 |
| Complexity | 312.0 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1Cl)O[Si](CC)(CC)CC |
| InChIKey | LOOCRJLGTQYLHO-UHFFFAOYSA-N |
The XLogP value of 4.97 indicates that Acetic acid, 2-(o-chlorophenyl)-2-(triethylsiloxy)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Acetic acid, 2-(o-chlorophenyl)-2-(triethylsiloxy)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-(o-chlorophenyl)-2-(triethylsiloxy)-, ethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetic acid, 2-(o-chlorophenyl)-2-(triethylsiloxy)-, ethyl ester is 85905-76-6.
The molecular formula of Acetic acid, 2-(o-chlorophenyl)-2-(triethylsiloxy)-, ethyl ester is C16H25ClO3Si.
The molecular weight of Acetic acid, 2-(o-chlorophenyl)-2-(triethylsiloxy)-, ethyl ester is 328.12616 g/mol.
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