![Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate structure](/static/products/1005/1005118-64-8.webp)
Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate
TL;DR: Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate (CAS 1005118-64-8) is a chemical compound with molecular formula C23H23F3N2O6 and molecular weight 480.15082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate
Also Known As: Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate, METHYL 4-[6-HYDROXY-2-OXO-5-(4-PROPOXYBENZOYL)-6-(TRIFLUOROMETHYL)HEXAHYDRO-4-PYRIMIDINYL]BENZOATE, methyl 4-{6-hydroxy-2-oxo-5-[(4-propoxyphenyl)carbonyl]-6-(trifluoromethyl)hexahydropyrimidin-4-yl}benzoate
Technical Specifications
| Molecular Formula | C23H23F3N2O6 |
| Molecular Weight | 480.15082 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.15082 Da |
| Heavy Atoms | 34 |
| Complexity | 747.0 |
| SMILES | CCCOC1=CC=C(C=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC=C(C=C3)C(=O)OC |
| InChIKey | BUIIKNLRUVDFSL-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate
Property Insights of Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate
The XLogP value of 3.7 indicates that Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate?
The CAS number of Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate is 1005118-64-8.
What is the molecular formula of Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate?
The molecular formula of Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate is C23H23F3N2O6.
What is the molecular weight of Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate?
The molecular weight of Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate is 480.15082 g/mol.
Where can I buy Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate?
You can request a quote for Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-[6-hydroxy-2-oxo-5-(4-propoxybenzoyl)-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.