3-Amino-4,4,4-trichloro-2-cyano-but-2-enoic acid ethyl ester
TL;DR: 3-Amino-4,4,4-trichloro-2-cyano-but-2-enoic acid ethyl ester (CAS 112528-71-9) is a chemical compound with molecular formula C7H7Cl3N2O2 and molecular weight 255.9573 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (Z)-3-amino-4,4,4-trichloro-2-cyanobut-2-enoate
Also Known As: (Z)-ethyl 3-amino-4,4,4-trichloro-2-cyanobut-2-enoate, ethyl (2Z)-3-amino-4,4,4-trichloro-2-cyanobut-2-enoate, ethyl 3-amino-4,4,4-trichloro-2-cyanobut-2-enoate, ethyl (Z)-3-amino-4,4,4-trichloro-2-cyanobut-2-enoate, 2-Butenoic acid, 3-amino-4,4,4-trichloro-2-cyano-, ethyl ester
Technical Specifications
| Molecular Formula | C7H7Cl3N2O2 |
| Molecular Weight | 255.9573 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.9573 Da |
| Heavy Atoms | 14 |
| Complexity | 311.0 |
| SMILES | CCOC(=O)/C(=C(/C(Cl)(Cl)Cl)\N)/C#N |
| InChIKey | KYTOUGMOZGVXTJ-PLNGDYQASA-N |
Chemical Property Profile of 3-Amino-4,4,4-trichloro-2-cyano-but-2-enoic acid ethyl ester
Property Insights of 3-Amino-4,4,4-trichloro-2-cyano-but-2-enoic acid ethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4,4,4-trichloro-2-cyano-but-2-enoic acid ethyl ester. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4,4,4-trichloro-2-cyano-but-2-enoic acid ethyl ester. Following Lipinski's Rule of Five, 3-Amino-4,4,4-trichloro-2-cyano-but-2-enoic acid ethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Amino-4,4,4-trichloro-2-cyano-but-2-enoic acid ethyl ester?
The CAS number of 3-Amino-4,4,4-trichloro-2-cyano-but-2-enoic acid ethyl ester is 112528-71-9.
What is the molecular formula of 3-Amino-4,4,4-trichloro-2-cyano-but-2-enoic acid ethyl ester?
The molecular formula of 3-Amino-4,4,4-trichloro-2-cyano-but-2-enoic acid ethyl ester is C7H7Cl3N2O2.
What is the molecular weight of 3-Amino-4,4,4-trichloro-2-cyano-but-2-enoic acid ethyl ester?
The molecular weight of 3-Amino-4,4,4-trichloro-2-cyano-but-2-enoic acid ethyl ester is 255.9573 g/mol.
Where can I buy 3-Amino-4,4,4-trichloro-2-cyano-but-2-enoic acid ethyl ester?
You can request a quote for 3-Amino-4,4,4-trichloro-2-cyano-but-2-enoic acid ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-4,4,4-trichloro-2-cyano-but-2-enoic acid ethyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Amino-4,4,4-trichloro-2-cyano-but-2-enoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.