![Butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate structure](/static/products/5798/57983-24-1.webp)
Butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate
TL;DR: Butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate (CAS 57983-24-1) 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 6-[(2,2,2-trifluoroacetyl)amino]hexanoate
Also Known As: Sec-butyl 6-[(trifluoroacetyl)amino]hexanoate, 6-[ amino]hexanoicacid1-methylpropylester, butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate, butan-2-yl 6-(2,2,2-trifluoroacetamido)hexanoate, Sec-butyl 6-[(trifluoroacetyl)amino]hexanoate #
| Molecular Formula | C12H20F3NO3 |
|---|---|
| Molecular Weight | 283.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 283.13953 |
| Heavy Atoms | 19 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 57983-24-1 |
|---|---|
| SMILES | CCC(C)OC(=O)CCCCCNC(=O)C(F)(F)F |
| InChIKey | HFKVLETUMHBSHC-UHFFFAOYSA-N |
Product Overview
Butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate (CAS 57983-24-1), with molecular formula C12H20F3NO3 and molecular weight 283.14 g/mol. IUPAC: butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate.
Chemical Property Profile of Butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate
Property Insights of Butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butan-2-yl 6-[(2,2,2-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 Butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate?
The CAS number of Butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate is 57983-24-1.
What is the molecular formula of Butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate?
The molecular formula of Butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate is C12H20F3NO3.
What is the molecular weight of Butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate?
The molecular weight of Butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate is 283.14 g/mol.
Where can I buy Butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate?
You can request a quote for Butan-2-yl 6-[(2,2,2-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 Butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-yl 6-[(2,2,2-trifluoroacetyl)amino]hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.