6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 113269-15-1) 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.
6-methyl-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 4(1h)-quinazolinone,2,3-dihydro-6-methyl-3-phenyl-2-thioxo-, 6-methyl-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one, 2-mercapto-6-methyl-3- phenyl-4(3H)-quinazolinone, 2-mercapto-6-methyl-3-phenyl-4(3H)-quinazolinone
Technical Specifications
| Molecular Formula | C15H12N2OS |
| Molecular Weight | 268.06705 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.06705 Da |
| Heavy Atoms | 19 |
| Complexity | 378.0 |
| SMILES | CC1=CC2=C(C=C1)NC(=S)N(C2=O)C3=CC=CC=C3 |
| InChIKey | JDSYSIBHXQQSGI-UHFFFAOYSA-N |
Chemical Property Profile of 6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 3.1 indicates that 6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-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 6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one. Following Lipinski's Rule of Five, 6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-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 6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 113269-15-1.
What is the molecular formula of 6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is C15H12N2OS.
What is the molecular weight of 6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 268.06705 g/mol.
Where can I buy 6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
Yes, CoreyChem provides custom synthesis services for 6-Methyl-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.