Acrylic acid, 3-(o-chlorophenyl)-2-cyano-, ethyl ester
TL;DR: Acrylic acid, 3-(o-chlorophenyl)-2-cyano-, ethyl ester (CAS 24393-43-9) is a chemical compound with molecular formula C12H10ClNO2 and molecular weight 235.04001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoate
Also Known As: 2-chlorobenzylidene ethyl cyanoacetate, Ethyl 3-(2-chlorophenyl)-2-cyanoacrylate, beta-o-Chlorophenyl-alpha-cyanoacrylic acid, ethyl ester, ethyl (E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoate, ethyl 3-(2-chlorophenyl)-2-cyanoprop-2-enoate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H10ClNO2 |
| Molecular Weight | 235.04001 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.04001 Da |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
| SMILES | CCOC(=O)/C(=C/C1=CC=CC=C1Cl)/C#N |
| InChIKey | AZFSDKAHBOTEAG-JXMROGBWSA-N |
Chemical Property Profile of Acrylic acid, 3-(o-chlorophenyl)-2-cyano-, ethyl ester
Property Insights of Acrylic acid, 3-(o-chlorophenyl)-2-cyano-, ethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acrylic acid, 3-(o-chlorophenyl)-2-cyano-, ethyl ester. With a topological polar surface area (TPSA) of 50.1 Ų, Acrylic acid, 3-(o-chlorophenyl)-2-cyano-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acrylic acid, 3-(o-chlorophenyl)-2-cyano-, 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.
Frequently Asked Questions
What is the CAS number of Acrylic acid, 3-(o-chlorophenyl)-2-cyano-, ethyl ester?
The CAS number of Acrylic acid, 3-(o-chlorophenyl)-2-cyano-, ethyl ester is 24393-43-9.
What is the molecular formula of Acrylic acid, 3-(o-chlorophenyl)-2-cyano-, ethyl ester?
The molecular formula of Acrylic acid, 3-(o-chlorophenyl)-2-cyano-, ethyl ester is C12H10ClNO2.
What is the molecular weight of Acrylic acid, 3-(o-chlorophenyl)-2-cyano-, ethyl ester?
The molecular weight of Acrylic acid, 3-(o-chlorophenyl)-2-cyano-, ethyl ester is 235.04001 g/mol.
Where can I buy Acrylic acid, 3-(o-chlorophenyl)-2-cyano-, ethyl ester?
You can request a quote for Acrylic acid, 3-(o-chlorophenyl)-2-cyano-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acrylic acid, 3-(o-chlorophenyl)-2-cyano-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Acrylic acid, 3-(o-chlorophenyl)-2-cyano-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.