![Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate structure](/static/products/1005/1005070-84-7.webp)
Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate
TL;DR: Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate (CAS 1005070-84-7) is a chemical compound with molecular formula C20H16F4N2O5 and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate
Also Known As: Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate, AB00674358-01, methyl 4-(5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl)benzoate, F1423-3549, methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)hexahydro-4-pyrimidinyl]benzoate
| Molecular Formula | C20H16F4N2O5 |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 2.7162 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.09955 |
| Heavy Atoms | 31 |
| Complexity | 1007.7254 |
Chemical Identifiers
| CAS Number | 1005070-84-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)F |
Product Overview
Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate (CAS 1005070-84-7), with molecular formula C20H16F4N2O5 and molecular weight 440.10 g/mol. IUPAC: methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate.
Chemical Property Profile of Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate
Property Insights of Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate
The XLogP value of 2.7162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate. The TPSA of 104.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate 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 Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate?
The CAS number of Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate is 1005070-84-7.
What is the molecular formula of Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate?
The molecular formula of Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate is C20H16F4N2O5.
What is the molecular weight of Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate?
The molecular weight of Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate is 440.10 g/mol.
Where can I buy Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate?
You can request a quote for Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.