![Ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate structure](/static/products/118/1181467-86-6.webp)
Ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate
TL;DR: Ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate (CAS 1181467-86-6) is a chemical compound with molecular formula C12H10ClFN2O2 and molecular weight 268.04147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (E)-3-(2-chloro-4-fluoroanilino)-2-cyanoprop-2-enoate
Also Known As: ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate, ethyl (E)-3-(2-chloro-4-fluoroanilino)-2-cyanoprop-2-enoate, ethyl3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate, ethyl (2Z)-3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate, G33406
Technical Specifications
| Molecular Formula | C12H10ClFN2O2 |
| Molecular Weight | 268.04147 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.04147 Da |
| Heavy Atoms | 18 |
| Complexity | 378.0 |
| SMILES | CCOC(=O)/C(=C/NC1=C(C=C(C=C1)F)Cl)/C#N |
| InChIKey | LZOSDKFWEZPOPE-BQYQJAHWSA-N |
Chemical Property Profile of Ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate
Property Insights of Ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate
The XLogP value of 3.5 indicates that Ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate has 1 hydrogen bond donor(s) and 5 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-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate?
The CAS number of Ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate is 1181467-86-6.
What is the molecular formula of Ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate?
The molecular formula of Ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate is C12H10ClFN2O2.
What is the molecular weight of Ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate?
The molecular weight of Ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate is 268.04147 g/mol.
Where can I buy Ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate?
You can request a quote for Ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-[(2-chloro-4-fluorophenyl)amino]-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.