3-Methyl-2-((4-methylbenzyl)thio)quinazolin-4(3H)-one
TL;DR: 3-Methyl-2-((4-methylbenzyl)thio)quinazolin-4(3H)-one (CAS 22312-45-4) is a chemical compound with molecular formula C17H16N2OS and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one
Also Known As: 3-Methyl-2-((4-methylbenzyl)thio)quinazolin-4(3H)-one, 3-methyl-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one, 3-methyl-2-(p-tolylmethylsulfanyl)quinazolin-4-one, 3-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one, 3-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}quinazolin-4-one
| Molecular Formula | C17H16N2OS |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 3.53422 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.09833 |
| Heavy Atoms | 21 |
| Complexity | 837.5282 |
Chemical Identifiers
| CAS Number | 22312-45-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C |
Product Overview
3-Methyl-2-((4-methylbenzyl)thio)quinazolin-4(3H)-one (CAS 22312-45-4), with molecular formula C17H16N2OS and molecular weight 296.10 g/mol. IUPAC: 3-methyl-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one.
Chemical Property Profile of 3-Methyl-2-((4-methylbenzyl)thio)quinazolin-4(3H)-one
Property Insights of 3-Methyl-2-((4-methylbenzyl)thio)quinazolin-4(3H)-one
The XLogP value of 3.53422 indicates that 3-Methyl-2-((4-methylbenzyl)thio)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-Methyl-2-((4-methylbenzyl)thio)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-((4-methylbenzyl)thio)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-Methyl-2-((4-methylbenzyl)thio)quinazolin-4(3H)-one?
The CAS number of 3-Methyl-2-((4-methylbenzyl)thio)quinazolin-4(3H)-one is 22312-45-4.
What is the molecular formula of 3-Methyl-2-((4-methylbenzyl)thio)quinazolin-4(3H)-one?
The molecular formula of 3-Methyl-2-((4-methylbenzyl)thio)quinazolin-4(3H)-one is C17H16N2OS.
What is the molecular weight of 3-Methyl-2-((4-methylbenzyl)thio)quinazolin-4(3H)-one?
The molecular weight of 3-Methyl-2-((4-methylbenzyl)thio)quinazolin-4(3H)-one is 296.10 g/mol.
Where can I buy 3-Methyl-2-((4-methylbenzyl)thio)quinazolin-4(3H)-one?
You can request a quote for 3-Methyl-2-((4-methylbenzyl)thio)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-Methyl-2-((4-methylbenzyl)thio)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-((4-methylbenzyl)thio)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.