ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate
TL;DR: ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate (CAS 49765-06-2) is a chemical compound with molecular formula C7H7F3N2O2 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate
Also Known As: J2.782.766G, ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate, ethyl 3-amino-2-cyano-4,4,4-trifluorobut-2-enoate, Ethyl 3-amino-2-cyano-4,4,4-trifluoro-but-2-enoate, (Z)-ethyl 3-amino-2-cyano-4,4,4-trifluorobut-2-enoate
| Molecular Formula | C7H7F3N2O2 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 0.84818 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.04596 |
| Heavy Atoms | 14 |
| Complexity | 301.03723 |
Chemical Identifiers
| CAS Number | 49765-06-2 |
|---|---|
| SMILES | CCOC(=O)/C(=C(/C(F)(F)F)\N)/C#N |
Product Overview
ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate (CAS 49765-06-2), with molecular formula C7H7F3N2O2 and molecular weight 208.05 g/mol. IUPAC: ethyl (Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate.
Chemical Property Profile of ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate
Property Insights of ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate
The XLogP value of 0.84818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate. Following Lipinski's Rule of Five, ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate 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
Frequently Asked Questions
What is the CAS number of ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate?
The CAS number of ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate is 49765-06-2.
What is the molecular formula of ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate?
The molecular formula of ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate is C7H7F3N2O2.
What is the molecular weight of ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate?
The molecular weight of ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate is 208.05 g/mol.
Where can I buy ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate?
You can request a quote for ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.