N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide
TL;DR: N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide (CAS 1799-80-0) is a chemical compound with molecular formula C10H9F3N2O3 and molecular weight 262.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide
Also Known As: N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide, AN-465/40934871, 2,2,2-trifluoro-N-{2-nitro-4,5-dimethylphenyl}acetamide, N-hydroxy-4,5-dimethyl-N-oxo-2-(2,2,2-trifluoroacetamido)anilinium, Acetamide, N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoro-
| Molecular Formula | C10H9F3N2O3 |
|---|---|
| Molecular Weight | 262.06 g/mol |
| LogP | 2.71244 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.05652 |
| Heavy Atoms | 18 |
| Complexity | 511.82474 |
Chemical Identifiers
| CAS Number | 1799-80-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C(F)(F)F |
Product Overview
N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide (CAS 1799-80-0), with molecular formula C10H9F3N2O3 and molecular weight 262.06 g/mol. IUPAC: N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide
Property Insights of N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide
The XLogP value of 2.71244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide. Following Lipinski's Rule of Five, N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide has 1 hydrogen bond donor(s) and 3 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-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide?
The CAS number of N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide is 1799-80-0.
What is the molecular formula of N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide?
The molecular formula of N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide is C10H9F3N2O3.
What is the molecular weight of N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide?
The molecular weight of N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide is 262.06 g/mol.
Where can I buy N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide?
You can request a quote for N-(4,5-dimethyl-2-nitrophenyl)-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-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,5-dimethyl-2-nitrophenyl)-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.