N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide
TL;DR: N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide (CAS 5317-70-4) is a chemical compound with molecular formula C14H18F3NO and molecular weight 273.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide
Also Known As: N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide, BIM-0005055.P001, N-(2,6-DIMETHYL-4-TERT-BUTYL-PHENYL)-2,2,2-TRIFLUORO-ACETAMIDE
| Molecular Formula | C14H18F3NO |
|---|---|
| Molecular Weight | 273.13 g/mol |
| LogP | 4.10174 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.13406 |
| Heavy Atoms | 19 |
| Complexity | 475.38815 |
Chemical Identifiers
| CAS Number | 5317-70-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1NC(=O)C(F)(F)F)C)C(C)(C)C |
Product Overview
N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide (CAS 5317-70-4), with molecular formula C14H18F3NO and molecular weight 273.13 g/mol. IUPAC: N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide
Property Insights of N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide
The XLogP value of 4.10174 indicates that N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide has 1 hydrogen bond donor(s) and 1 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 N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide?
The CAS number of N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide is 5317-70-4.
What is the molecular formula of N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide?
The molecular formula of N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide is C14H18F3NO.
What is the molecular weight of N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide?
The molecular weight of N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide is 273.13 g/mol.
Where can I buy N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide?
You can request a quote for N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.