N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide
TL;DR: N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide (CAS 459417-72-2) is a chemical compound with molecular formula C10H9ClF3NO and molecular weight 251.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide
Also Known As: N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide, AF-399/41111156, F3097-6274
| Molecular Formula | C10H9ClF3NO |
|---|---|
| Molecular Weight | 251.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.03247 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 459417-72-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)Cl)NC(=O)C(F)(F)F)C |
| InChIKey | GNHGQERRQVPGRT-UHFFFAOYSA-N |
Product Overview
N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide (CAS 459417-72-2), with molecular formula C10H9ClF3NO and molecular weight 251.03 g/mol. IUPAC: N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide
Property Insights of N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide has 1 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 N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide?
The CAS number of N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide is 459417-72-2.
What is the molecular formula of N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide?
The molecular formula of N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide is C10H9ClF3NO.
What is the molecular weight of N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide?
The molecular weight of N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide is 251.03 g/mol.
Where can I buy N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide?
You can request a quote for N-(2-chloro-4,6-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-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloro-4,6-dimethylphenyl)-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.