![Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester structure](/static/products/549/54986-67-3.png)
Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester
TL;DR: Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester (CAS 54986-67-3) 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 3-[(2,2,2-trifluoroacetyl)amino]butanoate
Also Known As: butanoicacid,3-[amino]-,1-methylpropylester, Butanoicacid,3-[ amino]-,1-methylpropylester, Sec-butyl 3-[(trifluoroacetyl)amino]butanoate, Sec-butyl 3-[(trifluoroacetyl)amino]butanoate #, butan-2-yl 3-(2,2,2-trifluoroacetamido)butanoate
| Molecular Formula | C10H16F3NO3 |
|---|---|
| Molecular Weight | 255.11 g/mol |
| LogP | 2.2 |
| 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 | 54986-67-3 |
|---|---|
| SMILES | CCC(C)OC(=O)CC(C)NC(=O)C(F)(F)F |
| InChIKey | WJESWSDIUGMZGE-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester (CAS 54986-67-3), with molecular formula C10H16F3NO3 and molecular weight 255.11 g/mol. IUPAC: butan-2-yl 3-[(2,2,2-trifluoroacetyl)amino]butanoate.
Chemical Property Profile of Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester
Property Insights of Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester 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 Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester?
The CAS number of Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester is 54986-67-3.
What is the molecular formula of Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester?
The molecular formula of Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester is C10H16F3NO3.
What is the molecular weight of Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester?
The molecular weight of Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester is 255.11 g/mol.
Where can I buy Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester?
You can request a quote for Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-[(trifluoroacetyl)amino]-, 1-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.