3-Benzyl-2-mercapto-3H-quinazolin-4-one
TL;DR: 3-Benzyl-2-mercapto-3H-quinazolin-4-one (CAS 13906-05-3) is a chemical compound with molecular formula C15H12N2OS and molecular weight 268.06705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-Benzyl-2-mercapto-3H-quinazolin-4-one, 3-benzyl-2-sulfanylidene-1H-quinazolin-4-one, 3-Benzyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone, 3-benzyl-2-mercaptoquinazolin-4(3H)-one, benzylthioxodihydroquinazolinone
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H12N2OS |
| Molecular Weight | 268.06705 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.06705 Da |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3NC2=S |
| InChIKey | PSPZHJCIFHRWNP-UHFFFAOYSA-N |
Chemical Property Profile of 3-Benzyl-2-mercapto-3H-quinazolin-4-one
Property Insights of 3-Benzyl-2-mercapto-3H-quinazolin-4-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-2-mercapto-3H-quinazolin-4-one. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-2-mercapto-3H-quinazolin-4-one. Following Lipinski's Rule of Five, 3-Benzyl-2-mercapto-3H-quinazolin-4-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
What is the CAS number of 3-Benzyl-2-mercapto-3H-quinazolin-4-one?
The CAS number of 3-Benzyl-2-mercapto-3H-quinazolin-4-one is 13906-05-3.
What is the molecular formula of 3-Benzyl-2-mercapto-3H-quinazolin-4-one?
The molecular formula of 3-Benzyl-2-mercapto-3H-quinazolin-4-one is C15H12N2OS.
What is the molecular weight of 3-Benzyl-2-mercapto-3H-quinazolin-4-one?
The molecular weight of 3-Benzyl-2-mercapto-3H-quinazolin-4-one is 268.06705 g/mol.
Where can I buy 3-Benzyl-2-mercapto-3H-quinazolin-4-one?
You can request a quote for 3-Benzyl-2-mercapto-3H-quinazolin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Benzyl-2-mercapto-3H-quinazolin-4-one?
Yes, CoreyChem provides custom synthesis services for 3-Benzyl-2-mercapto-3H-quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.