6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate
TL;DR: 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate (CAS 868679-97-4) is a chemical compound with molecular formula C14H9F3N2O5 and molecular weight 342.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-(trifluoromethyl)benzoate
Also Known As: 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate, F1826-0076, (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-(trifluoromethyl)benzoate
| Molecular Formula | C14H9F3N2O5 |
|---|---|
| Molecular Weight | 342.05 g/mol |
| LogP | 2.82952 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.04636 |
| Heavy Atoms | 24 |
| Complexity | 873.44415 |
Chemical Identifiers
| CAS Number | 868679-97-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2C(F)(F)F |
Product Overview
6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate (CAS 868679-97-4), with molecular formula C14H9F3N2O5 and molecular weight 342.05 g/mol. IUPAC: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-(trifluoromethyl)benzoate.
Chemical Property Profile of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate
Property Insights of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate
The XLogP value of 2.82952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate. The TPSA of 102.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate. Following Lipinski's Rule of Five, 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate has 1 hydrogen bond donor(s) and 5 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 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate?
The CAS number of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate is 868679-97-4.
What is the molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate?
The molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate is C14H9F3N2O5.
What is the molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate?
The molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate is 342.05 g/mol.
Where can I buy 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate?
You can request a quote for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.