3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one
TL;DR: 3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one (CAS 500113-81-5) is a chemical compound with molecular formula C15H14N2O2S and molecular weight 286.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-hydroxybut-2-ynylsulfanyl)-3-prop-2-enylquinazolin-4-one
Also Known As: 3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one, 2-(4-hydroxybut-2-ynylsulfanyl)-3-prop-2-enylquinazolin-4-one, F1413-0002, 2-(4-hydroxybut-2-ynylthio)-3-prop-2-enyl-3-hydroquinazolin-4-one, 2-[(4-hydroxybut-2-yn-1-yl)sulfanyl]-3-(prop-2-en-1-yl)quinazolin-4(3H)-one
Technical Specifications
| Molecular Formula | C15H14N2O2S |
| Molecular Weight | 286.0776 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.0776 Da |
| Heavy Atoms | 20 |
| Complexity | 475.0 |
| SMILES | C=CCN1C(=O)C2=CC=CC=C2N=C1SCC#CCO |
| InChIKey | VYOMORMMKUVCLY-UHFFFAOYSA-N |
Chemical Property Profile of 3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one
Property Insights of 3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one. Following Lipinski's Rule of Five, 3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one 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 3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one?
The CAS number of 3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one is 500113-81-5.
What is the molecular formula of 3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one?
The molecular formula of 3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one is C15H14N2O2S.
What is the molecular weight of 3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one?
The molecular weight of 3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one is 286.0776 g/mol.
Where can I buy 3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one?
You can request a quote for 3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one?
Yes, CoreyChem provides custom synthesis services for 3-allyl-2-((4-hydroxybut-2-yn-1-yl)thio)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.