![methyl 4-[5-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate structure](/static/products/1005/1005037-99-9.webp)
methyl 4-[5-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate
TL;DR: methyl 4-[5-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate (CAS 1005037-99-9) is a chemical compound with molecular formula C15H15F3N2O5 and molecular weight 360.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate
Also Known As: methyl 4-[5-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate, F1168-0230, methyl 4-(5-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl)benzoate
| Molecular Formula | C15H15F3N2O5 |
|---|---|
| Molecular Weight | 360.09 g/mol |
| LogP | 1.2832 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.0933 |
| Heavy Atoms | 25 |
| Complexity | 704.1135 |
Chemical Identifiers
| CAS Number | 1005037-99-9 |
|---|---|
| SMILES | CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=C(C=C2)C(=O)OC |
Product Overview
methyl 4-[5-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate (CAS 1005037-99-9), with molecular formula C15H15F3N2O5 and molecular weight 360.09 g/mol. IUPAC: methyl 4-[5-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate.
Chemical Property Profile of methyl 4-[5-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate
Property Insights of methyl 4-[5-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate
The XLogP value of 1.2832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[5-acetyl-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-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[5-acetyl-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-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate?
The CAS number of methyl 4-[5-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate is 1005037-99-9.
What is the molecular formula of methyl 4-[5-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate?
The molecular formula of methyl 4-[5-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate is C15H15F3N2O5.
What is the molecular weight of methyl 4-[5-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate?
The molecular weight of methyl 4-[5-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate is 360.09 g/mol.
Where can I buy methyl 4-[5-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate?
You can request a quote for methyl 4-[5-acetyl-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-acetyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[5-acetyl-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.