Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate
TL;DR: Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate (CAS 102038-09-5) is a chemical compound with molecular formula C24H28N2O4S and molecular weight 440.17697 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[4-[2-(2-hydroxyheptylsulfanyl)-4-oxoquinazolin-3-yl]phenyl]acetate
Also Known As: Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate, Methyl 4-(2-((2-hydroxyheptyl)thio)-4-oxo-3(4H)-quinazolinyl)benzeneacetate, Benzeneacetic acid, 4-(2-((2-hydroxyheptyl)thio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester, methyl 2-[4-[2-(2-hydroxyheptylsulfanyl)-4-oxoquinazolin-3-yl]phenyl]acetate, Benzeneacetic acid,4-[2-[(2-hydroxyheptyl)thio]-4-oxo-3(4H)-quinazolinyl]-, methyl ester
Technical Specifications
| Molecular Formula | C24H28N2O4S |
| Molecular Weight | 440.17697 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 440.17697 Da |
| Heavy Atoms | 31 |
| Complexity | 633.0 |
| SMILES | CCCCCC(CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)CC(=O)OC)O |
| InChIKey | KIQAINAQPGGBSG-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate
Property Insights of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate
The XLogP value of 4.9 indicates that Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate. Following Lipinski's Rule of Five, Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate has 1 hydrogen bond donor(s) and 6 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-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate?
The CAS number of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate is 102038-09-5.
What is the molecular formula of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate?
The molecular formula of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate is C24H28N2O4S.
What is the molecular weight of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate?
The molecular weight of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate is 440.17697 g/mol.
Where can I buy Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate?
You can request a quote for Methyl 4-(2-(2-hydroxyheptylthio)-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-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.