Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester
TL;DR: Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester (CAS 101492-44-8) is a chemical compound with molecular formula C11H11ClO2 and molecular weight 210.04475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(4-chlorophenyl)prop-2-enoate
Also Known As: Ethyl 2-(4-chlorophenyl)acrylate, Ethyl 2-(4-chlorophenyl)prop-2-enoate, Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester, ethyl 4-chlorophenyl-alpha-methyleneacetate, 2-(4-Chlorophenyl)acrylic acid ethyl ester
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H11ClO2 |
| Molecular Weight | 210.04475 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.04475 Da |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
| SMILES | CCOC(=O)C(=C)C1=CC=C(C=C1)Cl |
| InChIKey | LPWDPZHTBYYJTG-UHFFFAOYSA-N |
Chemical Property Profile of Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester
Property Insights of Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester
The XLogP value of 3.3 indicates that Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester 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 Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester?
The CAS number of Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester is 101492-44-8.
What is the molecular formula of Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester?
The molecular formula of Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester is C11H11ClO2.
What is the molecular weight of Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester?
The molecular weight of Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester is 210.04475 g/mol.
Where can I buy Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester?
You can request a quote for Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzeneacetic acid, 4-chloro-alpha-methylene-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.