Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate
TL;DR: Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate (CAS 34815-07-1) is a chemical compound with molecular formula C10H16F3NO3 and molecular weight 255.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
Also Known As: Butyl N-(trifluoroacetyl)-.alpha.-aminoisobutyrate, Alanine, 2-methyl-N-(trifluoroacetyl)-, butyl ester, Butyl 2-methyl-2-[(trifluoroacetyl)amino]propanoate, 2-Methyl-2-[(trifluoroacetyl)amino]propionic acid butyl ester, Propanoic acid, 2-amino-2-methyl, butyl ester, TFA
| Molecular Formula | C10H16F3NO3 |
|---|---|
| Molecular Weight | 255.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.10823 |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 34815-07-1 |
|---|---|
| SMILES | CCCCOC(=O)C(C)(C)NC(=O)C(F)(F)F |
| InChIKey | YWDQJPHFSPNTCF-UHFFFAOYSA-N |
Product Overview
Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate (CAS 34815-07-1), with molecular formula C10H16F3NO3 and molecular weight 255.11 g/mol. IUPAC: butyl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
Chemical Property Profile of Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate
Property Insights of Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate. With a topological polar surface area (TPSA) of 55.4 Ų, Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate has 1 hydrogen bond donor(s) and 6 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 Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate?
The CAS number of Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate is 34815-07-1.
What is the molecular formula of Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate?
The molecular formula of Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate is C10H16F3NO3.
What is the molecular weight of Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate?
The molecular weight of Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate is 255.11 g/mol.
Where can I buy Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate?
You can request a quote for Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.