2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one
TL;DR: 2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one (CAS 22453-82-3) is a chemical compound with molecular formula C18H12N2OS and molecular weight 304.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-naphthalen-1-yl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one, 3-naphthalen-1-yl-2-sulfanylidene-1H-quinazolin-4-one, BAS 00469725, 3-(1-naphthyl)-2-sulfanyl-quinazolin-4-one, 3-(naphthalen-1-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
| Molecular Formula | C18H12N2OS |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.06705 |
| Heavy Atoms | 22 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 22453-82-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2N3C(=O)C4=CC=CC=C4NC3=S |
| InChIKey | QDYLLEHZXILBOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one (CAS 22453-82-3), with molecular formula C18H12N2OS and molecular weight 304.07 g/mol. IUPAC: 3-naphthalen-1-yl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one
Property Insights of 2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one
The XLogP value of 4.0 indicates that 2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one. Following Lipinski's Rule of Five, 2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one has 1 hydrogen bond donor(s) and 2 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 2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one?
The CAS number of 2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one is 22453-82-3.
What is the molecular formula of 2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one?
The molecular formula of 2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one is C18H12N2OS.
What is the molecular weight of 2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one?
The molecular weight of 2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one is 304.07 g/mol.
Where can I buy 2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one?
You can request a quote for 2-mercapto-3-(1-naphthyl)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 2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-mercapto-3-(1-naphthyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.