ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
TL;DR: ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate (CAS 459153-43-6) is a chemical compound with molecular formula C15H16F3N3O6 and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Also Known As: ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate, ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate
| Molecular Formula | C15H16F3N3O6 |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 1.7211 |
| Topological Polar Surface Area | 122.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.09912 |
| Heavy Atoms | 27 |
| Complexity | 771.4094 |
Chemical Identifiers
| CAS Number | 459153-43-6 |
|---|---|
| SMILES | CCOC(=O)C1C(NC(=O)N(C1(C(F)(F)F)O)C)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate (CAS 459153-43-6), with molecular formula C15H16F3N3O6 and molecular weight 391.10 g/mol. IUPAC: ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate.
Chemical Property Profile of ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
Property Insights of ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
The XLogP value of 1.7211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate. The TPSA of 122.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate has 2 hydrogen bond donor(s) and 6 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 ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate?
The CAS number of ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate is 459153-43-6.
What is the molecular formula of ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate?
The molecular formula of ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate is C15H16F3N3O6.
What is the molecular weight of ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate?
The molecular weight of ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate is 391.10 g/mol.
Where can I buy ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate?
You can request a quote for ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-hydroxy-1-methyl-4-(3-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.