5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
TL;DR: 5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (CAS 376351-98-3) is a chemical compound with molecular formula C18H14F3N3O5 and molecular weight 409.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: 5-benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one, F1057-0391, 5-benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, 4-hydroxy-6-(4-nitrophenyl)-5-(phenylcarbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
| Molecular Formula | C18H14F3N3O5 |
|---|---|
| Molecular Weight | 409.09 g/mol |
| LogP | 2.6987 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.08856 |
| Heavy Atoms | 29 |
| Complexity | 949.4641 |
Chemical Identifiers
| CAS Number | 376351-98-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (CAS 376351-98-3), with molecular formula C18H14F3N3O5 and molecular weight 409.09 g/mol. IUPAC: 5-benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of 5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Property Insights of 5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
The XLogP value of 2.6987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one. Following Lipinski's Rule of Five, 5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one has 3 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 5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The CAS number of 5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is 376351-98-3.
What is the molecular formula of 5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular formula of 5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is C18H14F3N3O5.
What is the molecular weight of 5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular weight of 5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is 409.09 g/mol.
Where can I buy 5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
You can request a quote for 5-Benzoyl-4-hydroxy-6-(4-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-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.