![Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate structure](/static/products/5798/57983-76-3.webp)
Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate
TL;DR: Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate (CAS 57983-76-3) is a chemical compound with molecular formula C12H20F3NO3 and molecular weight 283.14 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]hexanoate
Also Known As: 1,4-dithiane-1,4-dioxide, Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate, Sec-Butyl N-(Trifluoroacetyl)Norleucinate, Butan-2-yl N-(trifluoroacetyl)norleucinate, butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]hexanoate
| Molecular Formula | C12H20F3NO3 |
|---|---|
| Molecular Weight | 283.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 283.13953 |
| Heavy Atoms | 19 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 57983-76-3 |
|---|---|
| SMILES | CCCCC(C(=O)OC(C)CC)NC(=O)C(F)(F)F |
| InChIKey | OBLZBDBZXAWHCY-UHFFFAOYSA-N |
Product Overview
Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate (CAS 57983-76-3), with molecular formula C12H20F3NO3 and molecular weight 283.14 g/mol. IUPAC: butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]hexanoate.
Chemical Property Profile of Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate
Property Insights of Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate
The XLogP value of 3.7 indicates that Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate 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 Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate?
The CAS number of Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate is 57983-76-3.
What is the molecular formula of Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate?
The molecular formula of Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate is C12H20F3NO3.
What is the molecular weight of Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate?
The molecular weight of Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate is 283.14 g/mol.
Where can I buy Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate?
You can request a quote for Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Sec-butyl 2-[(trifluoroacetyl)amino]hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.