Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate
TL;DR: Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate (CAS 102037-95-6) is a chemical compound with molecular formula C17H14N2O3S and molecular weight 326.0725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]acetate
Also Known As: Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate, Benzeneacetic acid, 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)-, methyl ester, Methyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzeneacetate, methyl 2-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]acetate, Methyl [4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)phenyl]acetate
Technical Specifications
| Molecular Formula | C17H14N2O3S |
| Molecular Weight | 326.0725 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.0725 Da |
| Heavy Atoms | 23 |
| Complexity | 488.0 |
| SMILES | COC(=O)CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S |
| InChIKey | IXSPCCPITLOXAY-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate
Property Insights of Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate. Following Lipinski's Rule of Five, Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate?
The CAS number of Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate is 102037-95-6.
What is the molecular formula of Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate?
The molecular formula of Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate is C17H14N2O3S.
What is the molecular weight of Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate?
The molecular weight of Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate is 326.0725 g/mol.
Where can I buy Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate?
You can request a quote for Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.