![Butyl 2-[(trifluoroacetyl)amino]octanoate structure](/static/products/3751/37516-84-0.webp)
Butyl 2-[(trifluoroacetyl)amino]octanoate
TL;DR: Butyl 2-[(trifluoroacetyl)amino]octanoate (CAS 37516-84-0) is a chemical compound with molecular formula C14H24F3NO3 and molecular weight 311.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[(2,2,2-trifluoroacetyl)amino]octanoate
Also Known As: Butyl 2-[(trifluoroacetyl)amino]octanoate, butyl 2-(2,2,2-trifluoroacetamido)octanoate, Butyl 2-[(trifluoroacetyl)amino]octanoate #, butyl 2-[(2,2,2-trifluoroacetyl)amino]octanoate, Octanoic acid, 2-[(trifluoroacetyl)amino]-, butyl ester
| Molecular Formula | C14H24F3NO3 |
|---|---|
| Molecular Weight | 311.17 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 311.17084 |
| Heavy Atoms | 21 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 37516-84-0 |
|---|---|
| SMILES | CCCCCCC(C(=O)OCCCC)NC(=O)C(F)(F)F |
| InChIKey | KSZMRHQNONVVJZ-UHFFFAOYSA-N |
Product Overview
Butyl 2-[(trifluoroacetyl)amino]octanoate (CAS 37516-84-0), with molecular formula C14H24F3NO3 and molecular weight 311.17 g/mol. IUPAC: butyl 2-[(2,2,2-trifluoroacetyl)amino]octanoate.
Chemical Property Profile of Butyl 2-[(trifluoroacetyl)amino]octanoate
Property Insights of Butyl 2-[(trifluoroacetyl)amino]octanoate
The XLogP value of 4.7 indicates that Butyl 2-[(trifluoroacetyl)amino]octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Butyl 2-[(trifluoroacetyl)amino]octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-[(trifluoroacetyl)amino]octanoate 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 2-[(trifluoroacetyl)amino]octanoate?
The CAS number of Butyl 2-[(trifluoroacetyl)amino]octanoate is 37516-84-0.
What is the molecular formula of Butyl 2-[(trifluoroacetyl)amino]octanoate?
The molecular formula of Butyl 2-[(trifluoroacetyl)amino]octanoate is C14H24F3NO3.
What is the molecular weight of Butyl 2-[(trifluoroacetyl)amino]octanoate?
The molecular weight of Butyl 2-[(trifluoroacetyl)amino]octanoate is 311.17 g/mol.
Where can I buy Butyl 2-[(trifluoroacetyl)amino]octanoate?
You can request a quote for Butyl 2-[(trifluoroacetyl)amino]octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-[(trifluoroacetyl)amino]octanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-[(trifluoroacetyl)amino]octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.