TL;DR: Propanoic acid, 3-(dichloromethylsilyl)-, methyl ester (CAS 18163-42-3) is a chemical compound with molecular formula C5H10Cl2O2Si and molecular weight 199.98271 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[dichloro(methyl)silyl]propanoate
Also Known As: 2-(Carbomethoxy)ethylmethyldichlorosilane, Methyl 3-[dichloro(methyl)silyl]propanoate, 2-Acetoxyethylmethyldichlorosilane, Methyl 3-(dichloromethylsilyl)propanoate, Methyl 3-(dichloromethylsilyl)propionate
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H10Cl2O2Si |
| Molecular Weight | 199.98271 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.98271 Da |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
| SMILES | COC(=O)CC[Si](C)(Cl)Cl |
| InChIKey | LWCNCHYFFPUDIH-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-(dichloromethylsilyl)-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 3-(dichloromethylsilyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-(dichloromethylsilyl)-, methyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Propanoic acid, 3-(dichloromethylsilyl)-, methyl ester is 18163-42-3.
The molecular formula of Propanoic acid, 3-(dichloromethylsilyl)-, methyl ester is C5H10Cl2O2Si.
The molecular weight of Propanoic acid, 3-(dichloromethylsilyl)-, methyl ester is 199.98271 g/mol.
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