3-Benzyl-2-(methylthio)quinazolin-4(3H)-one
TL;DR: 3-Benzyl-2-(methylthio)quinazolin-4(3H)-one (CAS 1688-81-9) is a chemical compound with molecular formula C16H14N2OS and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-methylsulfanylquinazolin-4-one
Also Known As: 3-Benzyl-2-(methylthio)quinazolin-4(3H)-one, BAS 00718601, 3-Benzyl-2-methylsulfanyl-3H-quinazolin-4-one, 3-benzyl-2-methylsulfanylquinazolin-4-one, 4(3H)-Quinazolinone, 2-(methylthio)-3-(phenylmethyl)-
| Molecular Formula | C16H14N2OS |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 3.1667 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.08267 |
| Heavy Atoms | 20 |
| Complexity | 796.4311 |
Chemical Identifiers
| CAS Number | 1688-81-9 |
|---|---|
| SMILES | CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3 |
Product Overview
3-Benzyl-2-(methylthio)quinazolin-4(3H)-one (CAS 1688-81-9), with molecular formula C16H14N2OS and molecular weight 282.08 g/mol. IUPAC: 3-benzyl-2-methylsulfanylquinazolin-4-one.
Chemical Property Profile of 3-Benzyl-2-(methylthio)quinazolin-4(3H)-one
Property Insights of 3-Benzyl-2-(methylthio)quinazolin-4(3H)-one
The XLogP value of 3.1667 indicates that 3-Benzyl-2-(methylthio)quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 3-Benzyl-2-(methylthio)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-2-(methylthio)quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 3 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-Benzyl-2-(methylthio)quinazolin-4(3H)-one?
The CAS number of 3-Benzyl-2-(methylthio)quinazolin-4(3H)-one is 1688-81-9.
What is the molecular formula of 3-Benzyl-2-(methylthio)quinazolin-4(3H)-one?
The molecular formula of 3-Benzyl-2-(methylthio)quinazolin-4(3H)-one is C16H14N2OS.
What is the molecular weight of 3-Benzyl-2-(methylthio)quinazolin-4(3H)-one?
The molecular weight of 3-Benzyl-2-(methylthio)quinazolin-4(3H)-one is 282.08 g/mol.
Where can I buy 3-Benzyl-2-(methylthio)quinazolin-4(3H)-one?
You can request a quote for 3-Benzyl-2-(methylthio)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-Benzyl-2-(methylthio)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-2-(methylthio)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.