5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
TL;DR: 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (CAS 1005264-46-9) is a chemical compound with molecular formula C13H12F3N3O6 and molecular weight 363.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one, F1168-0186, 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone
| Molecular Formula | C13H12F3N3O6 |
|---|---|
| Molecular Weight | 363.07 g/mol |
| LogP | 1.1104 |
| Topological Polar Surface Area | 141.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.0678 |
| Heavy Atoms | 25 |
| Complexity | 753.01526 |
Chemical Identifiers
| CAS Number | 1005264-46-9 |
|---|---|
| SMILES | CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=C(C=CC(=C2)[N+](=O)[O-])O |
Product Overview
5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (CAS 1005264-46-9), with molecular formula C13H12F3N3O6 and molecular weight 363.07 g/mol. IUPAC: 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Property Insights of 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
The XLogP value of 1.1104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one. The TPSA of 141.8 Ų indicates high polarity, suggesting 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one has 4 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 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The CAS number of 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is 1005264-46-9.
What is the molecular formula of 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular formula of 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is C13H12F3N3O6.
What is the molecular weight of 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular weight of 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is 363.07 g/mol.
Where can I buy 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
You can request a quote for 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.