Ethyl (2E)-4,4,4-trichlorobut-2-enoate
TL;DR: Ethyl (2E)-4,4,4-trichlorobut-2-enoate (CAS 151337-74-5) is a chemical compound with molecular formula C6H7Cl3O2 and molecular weight 215.95116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (E)-4,4,4-trichlorobut-2-enoate
Also Known As: (E)-ethyl 4,4,4-trichloro-2-butenoate, ethyl 4,4,4-trichlorobut-2-enoate, ETHYL (2E)-4,4,4-TRICHLOROBUT-2-ENOATE, 4,4,4-Trichlorocrotonic acid ethyl ester, ethyl (E)-4,4,4-trichlorobut-2-enoate
Technical Specifications
| Molecular Formula | C6H7Cl3O2 |
| Molecular Weight | 215.95116 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.95116 Da |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
| SMILES | CCOC(=O)/C=C/C(Cl)(Cl)Cl |
| InChIKey | IZIBACDHNNVHQA-ONEGZZNKSA-N |
Chemical Property Profile of Ethyl (2E)-4,4,4-trichlorobut-2-enoate
Property Insights of Ethyl (2E)-4,4,4-trichlorobut-2-enoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2E)-4,4,4-trichlorobut-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl (2E)-4,4,4-trichlorobut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2E)-4,4,4-trichlorobut-2-enoate 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 (2E)-4,4,4-trichlorobut-2-enoate?
The CAS number of Ethyl (2E)-4,4,4-trichlorobut-2-enoate is 151337-74-5.
What is the molecular formula of Ethyl (2E)-4,4,4-trichlorobut-2-enoate?
The molecular formula of Ethyl (2E)-4,4,4-trichlorobut-2-enoate is C6H7Cl3O2.
What is the molecular weight of Ethyl (2E)-4,4,4-trichlorobut-2-enoate?
The molecular weight of Ethyl (2E)-4,4,4-trichlorobut-2-enoate is 215.95116 g/mol.
Where can I buy Ethyl (2E)-4,4,4-trichlorobut-2-enoate?
You can request a quote for Ethyl (2E)-4,4,4-trichlorobut-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl (2E)-4,4,4-trichlorobut-2-enoate?
Yes, CoreyChem provides custom synthesis services for Ethyl (2E)-4,4,4-trichlorobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.