3-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one
TL;DR: 3-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one (CAS 1035-55-8) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
Also Known As: 3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one, AJ-292/37095007, 3-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one, 3-(4-methoxyphenyl)-2-(methylthio)quinazolin-4(3H)-one, 3-(4-methoxyphenyl)-2-(methylsulfanyl)-4(3H)-quinazolinone
| Molecular Formula | C16H14N2O2S |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.0776 |
| Heavy Atoms | 21 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 1035-55-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC |
| InChIKey | MWPQQHBDGKZIHO-UHFFFAOYSA-N |
Product Overview
3-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one (CAS 1035-55-8), with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol. IUPAC: 3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one.
Chemical Property Profile of 3-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one
Property Insights of 3-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one
The XLogP value of 3.1 indicates that 3-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)-2-(methylsulfanyl)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-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one?
The CAS number of 3-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one is 1035-55-8.
What is the molecular formula of 3-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one?
The molecular formula of 3-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one is C16H14N2O2S.
What is the molecular weight of 3-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one?
The molecular weight of 3-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one is 298.08 g/mol.
Where can I buy 3-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one?
You can request a quote for 3-(4-methoxyphenyl)-2-(methylsulfanyl)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-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.