3-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
TL;DR: 3-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one (CAS 117106-01-1) is a chemical compound with molecular formula C20H15N3OS and molecular weight 345.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
Also Known As: US9796687, Compound 24, 3-phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one, AO-080/42479949, 3-phenyl-2-[(pyridin-3-ylmethyl)thio]quinazolin-4(3H)-one, 3-phenyl-2-(3-pyridylmethylthio)-3-hydroquinazolin-4-one
| Molecular Formula | C20H15N3OS |
|---|---|
| Molecular Weight | 345.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.0936 |
| Heavy Atoms | 25 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 117106-01-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CN=CC=C4 |
| InChIKey | IHUQUOKPVJFIAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one (CAS 117106-01-1), with molecular formula C20H15N3OS and molecular weight 345.09 g/mol. IUPAC: 3-phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one.
Chemical Property Profile of 3-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
Property Insights of 3-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
The XLogP value of 3.8 indicates that 3-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one. Following Lipinski's Rule of Five, 3-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-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-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one?
The CAS number of 3-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one is 117106-01-1.
What is the molecular formula of 3-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one?
The molecular formula of 3-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one is C20H15N3OS.
What is the molecular weight of 3-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one?
The molecular weight of 3-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one is 345.09 g/mol.
Where can I buy 3-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one?
You can request a quote for 3-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.