Ethyl 3-amino-4,4,4-trifluorobutanoate
TL;DR: Ethyl 3-amino-4,4,4-trifluorobutanoate (CAS 17078-29-4) is a chemical compound with molecular formula C6H10F3NO2 and molecular weight 185.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-4,4,4-trifluorobutanoate
Also Known As: ethyl 3-amino-4,4,4-trifluorobutanoate, Ethyl 3-amino-4,4,4-trifluorobutyrate, Ethyl-3-amino-4,4,4-trifluorobutyrate, Ethyl 3-amino-4,4,4-trifluoro-butanoate, ethyl3-amino-4,4,4-trifluorobutanoate
| Molecular Formula | C6H10F3NO2 |
|---|---|
| Molecular Weight | 185.07 g/mol |
| LogP | 0.8292 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.06636 |
| Heavy Atoms | 12 |
| Complexity | 157.36241 |
Chemical Identifiers
| CAS Number | 17078-29-4 |
|---|---|
| SMILES | CCOC(=O)CC(C(F)(F)F)N |
Product Overview
Ethyl 3-amino-4,4,4-trifluorobutanoate (CAS 17078-29-4), with molecular formula C6H10F3NO2 and molecular weight 185.07 g/mol. IUPAC: ethyl 3-amino-4,4,4-trifluorobutanoate.
Chemical Property Profile of Ethyl 3-amino-4,4,4-trifluorobutanoate
Property Insights of Ethyl 3-amino-4,4,4-trifluorobutanoate
The XLogP value of 0.8292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-4,4,4-trifluorobutanoate. With a topological polar surface area (TPSA) of 52.32 Ų, Ethyl 3-amino-4,4,4-trifluorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-amino-4,4,4-trifluorobutanoate has 1 hydrogen bond donor(s) and 3 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 3-amino-4,4,4-trifluorobutanoate?
The CAS number of Ethyl 3-amino-4,4,4-trifluorobutanoate is 17078-29-4.
What is the molecular formula of Ethyl 3-amino-4,4,4-trifluorobutanoate?
The molecular formula of Ethyl 3-amino-4,4,4-trifluorobutanoate is C6H10F3NO2.
What is the molecular weight of Ethyl 3-amino-4,4,4-trifluorobutanoate?
The molecular weight of Ethyl 3-amino-4,4,4-trifluorobutanoate is 185.07 g/mol.
Where can I buy Ethyl 3-amino-4,4,4-trifluorobutanoate?
You can request a quote for Ethyl 3-amino-4,4,4-trifluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-amino-4,4,4-trifluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-4,4,4-trifluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.