Ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate
TL;DR: Ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate (CAS 328-64-3) is a chemical compound with molecular formula C12H13F3N2O2 and molecular weight 274.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate
Also Known As: ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate, 4,4,4-trifluoro-3-(phenylhydrazono)butanoic acid ethyl ester, ETHYL (3E)-4,4,4-TRIFLUORO-3-(PHENYLHYDRAZONO)BUTANOATE
| Molecular Formula | C12H13F3N2O2 |
|---|---|
| Molecular Weight | 274.09 g/mol |
| LogP | 2.97 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.09293 |
| Heavy Atoms | 19 |
| Complexity | 444.03775 |
Chemical Identifiers
| CAS Number | 328-64-3 |
|---|---|
| SMILES | CCOC(=O)CC(=NNC1=CC=CC=C1)C(F)(F)F |
Product Overview
Ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate (CAS 328-64-3), with molecular formula C12H13F3N2O2 and molecular weight 274.09 g/mol. IUPAC: ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate.
Chemical Property Profile of Ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate
Property Insights of Ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate
The XLogP value of 2.97 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate. With a topological polar surface area (TPSA) of 50.69 Ų, Ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate 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 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate?
The CAS number of Ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate is 328-64-3.
What is the molecular formula of Ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate?
The molecular formula of Ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate is C12H13F3N2O2.
What is the molecular weight of Ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate?
The molecular weight of Ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate is 274.09 g/mol.
Where can I buy Ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate?
You can request a quote for Ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4,4-trifluoro-3-(phenylhydrazinylidene)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.