![Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate structure](/static/products/5498/54986-68-4.webp)
Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate
TL;DR: Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate (CAS 54986-68-4) 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.
butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate
Also Known As: Sec-butyl 2-[(trifluoroacetyl)amino]butanoate, butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate, butan-2-yl 2-(2,2,2-trifluoroacetamido)butanoate, Sec-butyl 2-[(trifluoroacetyl)amino]butanoate #, 2-[(Trifluoroacetyl)amino]butanoic acid 1-methylpropyl ester
| Molecular Formula | C10H16F3NO3 |
|---|---|
| Molecular Weight | 255.11 g/mol |
| LogP | 2.8 |
| 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 | 278.0 |
Chemical Identifiers
| CAS Number | 54986-68-4 |
|---|---|
| SMILES | CCC(C)OC(=O)C(CC)NC(=O)C(F)(F)F |
| InChIKey | JNMMVOUZYLQNKB-UHFFFAOYSA-N |
Product Overview
Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate (CAS 54986-68-4), with molecular formula C10H16F3NO3 and molecular weight 255.11 g/mol. IUPAC: butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate.
Chemical Property Profile of Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate
Property Insights of Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate 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 Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate?
The CAS number of Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate is 54986-68-4.
What is the molecular formula of Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate?
The molecular formula of Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate is C10H16F3NO3.
What is the molecular weight of Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate?
The molecular weight of Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate is 255.11 g/mol.
Where can I buy Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate?
You can request a quote for Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.