Methyl alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate
TL;DR: Methyl alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate (CAS 102038-06-2) is a chemical compound with molecular formula C25H22N2O3S and molecular weight 430.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(2-benzylsulfanyl-4-oxoquinazolin-3-yl)phenyl]propanoate
Also Known As: Methyl alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate, Benzeneacetic acid, alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)-, methyl ester, methyl 2-[4-(2-benzylsulfanyl-4-oxoquinazolin-3-yl)phenyl]propanoate, Methyl 2-{4-[2-(benzylsulfanyl)-4-oxoquinazolin-3(4H)-yl]phenyl}propanoate, RefChem:324306
| Molecular Formula | C25H22N2O3S |
|---|---|
| Molecular Weight | 430.14 g/mol |
| LogP | 4.9545 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.1351 |
| Heavy Atoms | 31 |
| Complexity | 1267.6929 |
Chemical Identifiers
| CAS Number | 102038-06-2 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4)C(=O)OC |
Product Overview
Methyl alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate (CAS 102038-06-2), with molecular formula C25H22N2O3S and molecular weight 430.14 g/mol. IUPAC: methyl 2-[4-(2-benzylsulfanyl-4-oxoquinazolin-3-yl)phenyl]propanoate.
Chemical Property Profile of Methyl alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate
Property Insights of Methyl alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate
The XLogP value of 4.9545 indicates that Methyl alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate. Following Lipinski's Rule of Five, Methyl alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate has 0 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 alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate?
The CAS number of Methyl alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate is 102038-06-2.
What is the molecular formula of Methyl alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate?
The molecular formula of Methyl alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate is C25H22N2O3S.
What is the molecular weight of Methyl alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate?
The molecular weight of Methyl alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate is 430.14 g/mol.
Where can I buy Methyl alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate?
You can request a quote for Methyl alpha-methyl-4-(4-oxo-2-((phenylmethyl)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-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl alpha-methyl-4-(4-oxo-2-((phenylmethyl)thio)-3(4H)-quinazolinyl)benzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.