Ethyl 3-chloro-2,2-dimethylpropanoate
TL;DR: Ethyl 3-chloro-2,2-dimethylpropanoate (CAS 106521-01-1) is a chemical compound with molecular formula C7H13ClO2 and molecular weight 164.06041 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-chloro-2,2-dimethylpropanoate
Also Known As: ethyl 3-chloro-2,2-dimethylpropanoate, 3-Chloro-2,2-dimethyl-propionic acid ethyl ester, ethyl 3-chloro-2,2-dimethyl-propanoate, Ethyl 3-chloro-22-dimethylpropanoate, ethyl3-chloro-2,2-dimethylpropanoate
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H13ClO2 |
| Molecular Weight | 164.06041 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.06041 Da |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
| SMILES | CCOC(=O)C(C)(C)CCl |
| InChIKey | NEVHNBRNUWSFSB-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-chloro-2,2-dimethylpropanoate
Property Insights of Ethyl 3-chloro-2,2-dimethylpropanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-chloro-2,2-dimethylpropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-chloro-2,2-dimethylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-chloro-2,2-dimethylpropanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 3-chloro-2,2-dimethylpropanoate?
The CAS number of Ethyl 3-chloro-2,2-dimethylpropanoate is 106521-01-1.
What is the molecular formula of Ethyl 3-chloro-2,2-dimethylpropanoate?
The molecular formula of Ethyl 3-chloro-2,2-dimethylpropanoate is C7H13ClO2.
What is the molecular weight of Ethyl 3-chloro-2,2-dimethylpropanoate?
The molecular weight of Ethyl 3-chloro-2,2-dimethylpropanoate is 164.06041 g/mol.
Where can I buy Ethyl 3-chloro-2,2-dimethylpropanoate?
You can request a quote for Ethyl 3-chloro-2,2-dimethylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-chloro-2,2-dimethylpropanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-chloro-2,2-dimethylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.