![tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate structure](/static/products/2156/215654-52-7.webp)
tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate
TL;DR: tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate (CAS 215654-52-7) is a chemical compound with molecular formula C11H17F3N2O3 and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]ethyl]carbamate
Also Known As: jliQc@AZiYpIADabPrJPsIIISJRjYjijhBCH, tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate, tert-Butyl N-(2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl)carbamate, tert-butyl N-[2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]ethyl]carbamate, tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-en-1-yl)amino]ethyl}carbamate
| Molecular Formula | C11H17F3N2O3 |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 1.7458 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.11914 |
| Heavy Atoms | 19 |
| Complexity | 346.075 |
Chemical Identifiers
| CAS Number | 215654-52-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCN/C=C/C(=O)C(F)(F)F |
Product Overview
tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate (CAS 215654-52-7), with molecular formula C11H17F3N2O3 and molecular weight 282.12 g/mol. IUPAC: tert-butyl N-[2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]ethyl]carbamate.
Chemical Property Profile of tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate
Property Insights of tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate
The XLogP value of 1.7458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate. Following Lipinski's Rule of Five, tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate has 2 hydrogen bond donor(s) and 4 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 tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate?
The CAS number of tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate is 215654-52-7.
What is the molecular formula of tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate?
The molecular formula of tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate is C11H17F3N2O3.
What is the molecular weight of tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate?
The molecular weight of tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate is 282.12 g/mol.
Where can I buy tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate?
You can request a quote for tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-{2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]ethyl}carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.