![Pentanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester structure](/static/products/5798/57983-38-7.webp)
Pentanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester
TL;DR: Pentanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester (CAS 57983-38-7) is a chemical compound with molecular formula C11H18F3NO3 and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 4-[(2,2,2-trifluoroacetyl)amino]pentanoate
Also Known As: Sec-butyl 4-[(trifluoroacetyl)amino]pentanoate, Sec-butyl 4-[(trifluoroacetyl)amino]pentanoate #, butan-2-yl 4-(2,2,2-trifluoroacetamido)pentanoate, 4-[(Trifluoroacetyl)amino]pentanoic acid 1-methylpropyl ester, butan-2-yl 4-[(2,2,2-trifluoroacetyl)amino]pentanoate
| Molecular Formula | C11H18F3NO3 |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 269.12387 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 57983-38-7 |
|---|---|
| SMILES | CCC(C)OC(=O)CCC(C)NC(=O)C(F)(F)F |
| InChIKey | WQADIBSTFSHKAX-UHFFFAOYSA-N |
Product Overview
Pentanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester (CAS 57983-38-7), with molecular formula C11H18F3NO3 and molecular weight 269.12 g/mol. IUPAC: butan-2-yl 4-[(2,2,2-trifluoroacetyl)amino]pentanoate.
Chemical Property Profile of Pentanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester
Property Insights of Pentanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Pentanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 4-[(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 Pentanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester?
The CAS number of Pentanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester is 57983-38-7.
What is the molecular formula of Pentanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester?
The molecular formula of Pentanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester is C11H18F3NO3.
What is the molecular weight of Pentanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester?
The molecular weight of Pentanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester is 269.12 g/mol.
Where can I buy Pentanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester?
You can request a quote for Pentanoic acid, 4-[(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 Pentanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 4-[(trifluoroacetyl)amino]-, 1-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.