2-Phenylethyl chloroacetate
TL;DR: 2-Phenylethyl chloroacetate (CAS 7476-91-7) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylethyl 2-chloroacetate
Also Known As: phenethyl 2-chloroacetate, Phenethyl chloroacetate, 2-Phenylethyl chloroacetate, 2-phenylethyl 2-chloroacetate, Acetic acid, chloro-, 2-phenylethyl ester
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.04475 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.04475 Da |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
| SMILES | C1=CC=C(C=C1)CCOC(=O)CCl |
| InChIKey | MVUXHXZFGGRGNC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenylethyl chloroacetate
Property Insights of 2-Phenylethyl chloroacetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylethyl chloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Phenylethyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylethyl chloroacetate 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 2-Phenylethyl chloroacetate?
The CAS number of 2-Phenylethyl chloroacetate is 7476-91-7.
What is the molecular formula of 2-Phenylethyl chloroacetate?
The molecular formula of 2-Phenylethyl chloroacetate is C10H11ClO2.
What is the molecular weight of 2-Phenylethyl chloroacetate?
The molecular weight of 2-Phenylethyl chloroacetate is 198.04475 g/mol.
Where can I buy 2-Phenylethyl chloroacetate?
You can request a quote for 2-Phenylethyl chloroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenylethyl chloroacetate?
Yes, CoreyChem provides custom synthesis services for 2-Phenylethyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.