Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate
TL;DR: Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate (CAS 102038-08-4) is a chemical compound with molecular formula C25H28N2O4S and molecular weight 452.17697 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[4-[4-oxo-2-(2-oxoheptylsulfanyl)quinazolin-3-yl]phenyl]propanoate
Also Known As: Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate, Benzeneacetic acid, alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester, Methyl 2-(4-{4-oxo-2-[(2-oxoheptyl)sulfanyl]quinazolin-3(4H)-yl}phenyl)propanoate, methyl 2-[4-[4-oxo-2-(2-oxoheptylsulfanyl)quinazolin-3-yl]phenyl]propanoate
Technical Specifications
| Molecular Formula | C25H28N2O4S |
| Molecular Weight | 452.17697 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 452.17697 Da |
| Heavy Atoms | 32 |
| Complexity | 702.0 |
| SMILES | CCCCCC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(C)C(=O)OC |
| InChIKey | GMYINROQILVCSW-UHFFFAOYSA-N |
Chemical Property Profile of Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate
Property Insights of Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate
The XLogP value of 5.4 indicates that Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate. Following Lipinski's Rule of Five, Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate has 0 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 alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate?
The CAS number of Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate is 102038-08-4.
What is the molecular formula of Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate?
The molecular formula of Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate is C25H28N2O4S.
What is the molecular weight of Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate?
The molecular weight of Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate is 452.17697 g/mol.
Where can I buy Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate?
You can request a quote for Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate?
Yes, CoreyChem provides custom synthesis services for Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.