3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one
TL;DR: 3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one (CAS 840486-57-9) is a chemical compound with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enoxy-2-prop-2-enylsulfanylquinazolin-4-one
Also Known As: 3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one, 3-prop-2-enoxy-2-prop-2-enylsulfanylquinazolin-4-one, 3-(prop-2-en-1-yloxy)-2-(prop-2-en-1-ylsulfanyl)quinazolin-4(3H)-one
| Molecular Formula | C14H14N2O2S |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 2.2892 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.0776 |
| Heavy Atoms | 19 |
| Complexity | 664.0338 |
Chemical Identifiers
| CAS Number | 840486-57-9 |
|---|---|
| SMILES | C=CCON1C(=O)C2=CC=CC=C2N=C1SCC=C |
Product Overview
3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one (CAS 840486-57-9), with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol. IUPAC: 3-prop-2-enoxy-2-prop-2-enylsulfanylquinazolin-4-one.
Chemical Property Profile of 3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one
Property Insights of 3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one
The XLogP value of 2.2892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one. With a topological polar surface area (TPSA) of 44.12 Ų, 3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one?
The CAS number of 3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one is 840486-57-9.
What is the molecular formula of 3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one?
The molecular formula of 3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one is C14H14N2O2S.
What is the molecular weight of 3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one?
The molecular weight of 3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one is 274.08 g/mol.
Where can I buy 3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one?
You can request a quote for 3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(allyloxy)-2-(allylthio)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.