![Ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate structure](/static/products/1396/1396965-16-4.webp)
Ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate
TL;DR: Ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate (CAS 1396965-16-4) is a chemical compound with molecular formula C9H14F3NO2S and molecular weight 257.06973 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-amino-3-(3,4,4-trifluorobut-3-enylsulfanyl)propanoate
Also Known As: ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate, Ethyl 2-amino-3-(3,4,4-trifluorobut-3-enylsulfanyl)propanoate, ethyl 2-amino-3-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]propanoate, 4N-742, ethyl2-amino-3-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]propanoate
Technical Specifications
| Molecular Formula | C9H14F3NO2S |
| Molecular Weight | 257.06973 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 77.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 257.06973 Da |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
| SMILES | CCOC(=O)C(CSCCC(=C(F)F)F)N |
| InChIKey | FGLNTLUORLDQFU-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate
Property Insights of Ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate. Following Lipinski's Rule of Five, Ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate has 1 hydrogen bond donor(s) and 7 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 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate?
The CAS number of Ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate is 1396965-16-4.
What is the molecular formula of Ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate?
The molecular formula of Ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate is C9H14F3NO2S.
What is the molecular weight of Ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate?
The molecular weight of Ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate is 257.06973 g/mol.
Where can I buy Ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate?
You can request a quote for Ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-amino-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.