2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one
TL;DR: 2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one (CAS 1031-88-5) is a chemical compound with molecular formula C15H12N2O2S and molecular weight 284.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one, TimTec1_005273, 3-(4-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one, 3-(4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one, BAS 00718591
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H12N2O2S |
| Molecular Weight | 284.06195 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 73.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.06195 Da |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S |
| InChIKey | FMFXCPZRAWGWGX-UHFFFAOYSA-N |
Chemical Property Profile of 2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one
Property Insights of 2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one. Following Lipinski's Rule of Five, 2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
The CAS number of 2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one is 1031-88-5.
What is the molecular formula of 2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
The molecular formula of 2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one is C15H12N2O2S.
What is the molecular weight of 2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
The molecular weight of 2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one is 284.06195 g/mol.
Where can I buy 2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
You can request a quote for 2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
Yes, CoreyChem provides custom synthesis services for 2-mercapto-3-(4-methoxyphenyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.