3-(3,5-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-one
TL;DR: 3-(3,5-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-one (CAS 113269-21-9) is a chemical compound with molecular formula C16H14N2OS and molecular weight 282.08267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,5-dimethylphenyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: Quinoxaline,6-fluoro-7-nitro, 3-(3,5-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-one, 3-(3,5-dimethylphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one, 3-(3,5-Dimethylphenyl)-2-mercaptoquinazolin-4(3H)-one, 3-(3,5-dimethylphenyl)-2-sulfanylidene-1H-quinazolin-4-one
Technical Specifications
| Molecular Formula | C16H14N2OS |
| Molecular Weight | 282.08267 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.08267 Da |
| Heavy Atoms | 20 |
| Complexity | 401.0 |
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3NC2=S)C |
| InChIKey | VXJYPZPVUGXPEI-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3,5-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-one
Property Insights of 3-(3,5-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-one
The XLogP value of 3.5 indicates that 3-(3,5-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-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 3-(3,5-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-one. Following Lipinski's Rule of Five, 3-(3,5-Dimethyl-phenyl)-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-(3,5-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-one?
The CAS number of 3-(3,5-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-one is 113269-21-9.
What is the molecular formula of 3-(3,5-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-one?
The molecular formula of 3-(3,5-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-one is C16H14N2OS.
What is the molecular weight of 3-(3,5-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-one?
The molecular weight of 3-(3,5-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-one is 282.08267 g/mol.
Where can I buy 3-(3,5-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-one?
You can request a quote for 3-(3,5-Dimethyl-phenyl)-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-(3,5-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-one?
Yes, CoreyChem provides custom synthesis services for 3-(3,5-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.