![Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate structure](/static/products/1025/1025708-15-9.webp)
Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate
TL;DR: Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate (CAS 1025708-15-9) is a chemical compound with molecular formula C27H30N2O6 and molecular weight 478.2104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate
Also Known As: Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate, Benzoic acid, 4-[tetrahydro-5-[[4-(octyloxy)phenyl]methylene]-2,4,6-trioxo-1(2H)-pyrimidinyl]-, methyl ester
Technical Specifications
| Molecular Formula | C27H30N2O6 |
| Molecular Weight | 478.2104 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 478.2104 Da |
| Heavy Atoms | 35 |
| Complexity | 779.0 |
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC |
| InChIKey | GAHABUSVEDHLEP-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate
Property Insights of Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate
The XLogP value of 5.9 indicates that Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate?
The CAS number of Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate is 1025708-15-9.
What is the molecular formula of Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate?
The molecular formula of Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate is C27H30N2O6.
What is the molecular weight of Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate?
The molecular weight of Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate is 478.2104 g/mol.
Where can I buy Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate?
You can request a quote for Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-[5-[(4-octoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.