4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
TL;DR: 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (CAS 474260-47-4) is a chemical compound with molecular formula C19H16F3N3O5 and molecular weight 423.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one, 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone, 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, 4-hydroxy-5-[(4-methylphenyl)carbonyl]-6-(3-nitrophenyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
| Molecular Formula | C19H16F3N3O5 |
|---|---|
| Molecular Weight | 423.10 g/mol |
| LogP | 3.00712 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.10422 |
| Heavy Atoms | 30 |
| Complexity | 1009.2197 |
Chemical Identifiers
| CAS Number | 474260-47-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (CAS 474260-47-4), with molecular formula C19H16F3N3O5 and molecular weight 423.10 g/mol. IUPAC: 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Property Insights of 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
The XLogP value of 3.00712 indicates that 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one. Following Lipinski's Rule of Five, 4-hydroxy-5-(4-methylbenzoyl)-6-(3-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 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The CAS number of 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is 474260-47-4.
What is the molecular formula of 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular formula of 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is C19H16F3N3O5.
What is the molecular weight of 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular weight of 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is 423.10 g/mol.
Where can I buy 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
You can request a quote for 4-hydroxy-5-(4-methylbenzoyl)-6-(3-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 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.