![N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide structure](/static/products/6464/646498-06-8.webp)
N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide
TL;DR: N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide (CAS 646498-06-8) is a chemical compound with molecular formula C15H12ClF6NO and molecular weight 371.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylbut-3-yn-2-yl]-2-chloroacetamide
Also Known As: N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide, N-[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylbut-3-yn-2-yl]-2-chloroacetamide, N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide, 98%, N-{4-[3,5-bis(trifluoromethyl)phenyl]-2-methylbut-3-yn-2-yl}-2-chloroacetamide
| Molecular Formula | C15H12ClF6NO |
|---|---|
| Molecular Weight | 371.05 g/mol |
| LogP | 4.2093 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.05115 |
| Heavy Atoms | 24 |
| Complexity | 649.67053 |
Chemical Identifiers
| CAS Number | 646498-06-8 |
|---|---|
| SMILES | CC(C)(C#CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)NC(=O)CCl |
Product Overview
N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide (CAS 646498-06-8), with molecular formula C15H12ClF6NO and molecular weight 371.05 g/mol. IUPAC: N-[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylbut-3-yn-2-yl]-2-chloroacetamide.
Chemical Property Profile of N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide
Property Insights of N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide
The XLogP value of 4.2093 indicates that N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide 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-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide 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-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide?
The CAS number of N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide is 646498-06-8.
What is the molecular formula of N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide?
The molecular formula of N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide is C15H12ClF6NO.
What is the molecular weight of N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide?
The molecular weight of N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide is 371.05 g/mol.
Where can I buy N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide?
You can request a quote for N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethylprop-2-ynyl}-2-chloroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.