Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester
TL;DR: Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester (CAS 102037-99-0) is a chemical compound with molecular formula C20H20N2O3S and molecular weight 368.11948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[4-(4-oxo-2-propylsulfanylquinazolin-3-yl)phenyl]acetate
Also Known As: Methyl 4-(2-propylthio-4(3H)-quinazolon-3-yl)phenylacetate, Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester, Methyl 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)benzeneacetate, Methyl 2-(4-(4-oxo-2-(propylthio)quinazolin-3(4H)-yl)phenyl)acetate, methyl 2-[4-(4-oxo-2-propylsulfanylquinazolin-3-yl)phenyl]acetate
Technical Specifications
| Molecular Formula | C20H20N2O3S |
| Molecular Weight | 368.11948 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 84.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.11948 Da |
| Heavy Atoms | 26 |
| Complexity | 543.0 |
| SMILES | CCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)CC(=O)OC |
| InChIKey | TVMQLSVJRXRGCO-UHFFFAOYSA-N |
Chemical Property Profile of Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester
Property Insights of Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester
The XLogP value of 4.1 indicates that Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester 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
What is the CAS number of Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester?
The CAS number of Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester is 102037-99-0.
What is the molecular formula of Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester is C20H20N2O3S.
What is the molecular weight of Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester is 368.11948 g/mol.
Where can I buy Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzeneacetic acid, 4-(4-oxo-2-(propylthio)-3(4H)-quinazolinyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.