Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylpropionate
TL;DR: Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylpropionate (CAS 102038-10-8) is a chemical compound with molecular formula C25H30N2O4S and molecular weight 454.19263 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]propanoate
Also Known As: Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylpropionate, Benzeneacetic acid, 4-(2-((2-hydroxyheptyl)thio)-4-oxo-3(4H)-quinazolinyl)-alpha-methyl-, methyl ester, Methyl 2-(4-{2-[(2-hydroxyheptyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}phenyl)propanoate, methyl 2-[4-[2-(2-hydroxyheptylsulfanyl)-4-oxoquinazolin-3-yl]phenyl]propanoate
Technical Specifications
| Molecular Formula | C25H30N2O4S |
| Molecular Weight | 454.19263 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 454.19263 Da |
| Heavy Atoms | 32 |
| Complexity | 662.0 |
| SMILES | CCCCCC(CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(C)C(=O)OC)O |
| InChIKey | JYZAWMCOBVNDOS-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylpropionate
Property Insights of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylpropionate
The XLogP value of 5.5 indicates that Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylpropionate 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)phenylpropionate. Following Lipinski's Rule of Five, Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylpropionate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylpropionate?
The CAS number of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylpropionate is 102038-10-8.
What is the molecular formula of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylpropionate?
The molecular formula of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylpropionate is C25H30N2O4S.
What is the molecular weight of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylpropionate?
The molecular weight of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylpropionate is 454.19263 g/mol.
Where can I buy Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylpropionate?
You can request a quote for Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylpropionate 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)phenylpropionate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.