3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one
TL;DR: 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one (CAS 1001519-24-9) is a chemical compound with molecular formula C16H18N4OS and molecular weight 314.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one, 3-[3-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-2-mercapto-3H-quinazolin-4-one, 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one, 3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one, 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one
Technical Specifications
| Molecular Formula | C16H18N4OS |
| Molecular Weight | 314.12012 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.12012 Da |
| Heavy Atoms | 22 |
| Complexity | 444.0 |
| SMILES | CC1=CC(=NN1CCCN2C(=O)C3=CC=CC=C3NC2=S)C |
| InChIKey | BMFWPRMUJOVIBJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one
Property Insights of 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one. Following Lipinski's Rule of Five, 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-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 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one?
The CAS number of 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one is 1001519-24-9.
What is the molecular formula of 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one?
The molecular formula of 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one is C16H18N4OS.
What is the molecular weight of 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one?
The molecular weight of 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one is 314.12012 g/mol.
Where can I buy 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one?
You can request a quote for 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one?
Yes, CoreyChem provides custom synthesis services for 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.