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 452.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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, RefChem:324305
| Molecular Formula | C25H28N2O4S |
|---|---|
| Molecular Weight | 452.18 g/mol |
| LogP | 4.9037 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 452.17697 |
| Heavy Atoms | 32 |
| Complexity | 1154.8108 |
Chemical Identifiers
| CAS Number | 102038-08-4 |
|---|---|
| SMILES | CCCCCC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(C)C(=O)OC |
Product Overview
Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate (CAS 102038-08-4), with molecular formula C25H28N2O4S and molecular weight 452.18 g/mol. IUPAC: methyl 2-[4-[4-oxo-2-(2-oxoheptylsulfanyl)quinazolin-3-yl]phenyl]propanoate.
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 4.9037 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 78.26 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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
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 452.18 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl alpha-methyl-4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate?
Yes, KEHONG BIO 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.