1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide
TL;DR: 1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide (CAS 15589-21-6) is a chemical compound with molecular formula C22H26IN3OS and molecular weight 507.08414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenylquinazolin-4-one iodide
Also Known As: 1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide, Piperidinium, 1-(2-((3,4-dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methyl-, iodide, 2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenylquinazolin-4-one iodide, 2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenylquinazolin-4-one,iodide, 4-Oxo-3-phenyl-2-[2-(N-methyl-piperidino-aethylmercapto]-3,4-dihydro-chinazolin
Technical Specifications
| Molecular Formula | C22H26IN3OS |
| Molecular Weight | 507.08414 g/mol |
| XLogP | 1.1123 |
| Topological Polar Surface Area (TPSA) | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 507.08414 Da |
| Heavy Atoms | 28 |
| Complexity | 552.0 |
| SMILES | C[N+]1(CCCCC1)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4.[I-] |
| InChIKey | MUEKTZSRPHAHTB-UHFFFAOYSA-M |
Chemical Property Profile of 1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide
Property Insights of 1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide
The XLogP value of 1.1123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide. With a topological polar surface area (TPSA) of 58.0 Ų, 1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide?
The CAS number of 1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide is 15589-21-6.
What is the molecular formula of 1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide?
The molecular formula of 1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide is C22H26IN3OS.
What is the molecular weight of 1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide?
The molecular weight of 1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide is 507.08414 g/mol.
Where can I buy 1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide?
You can request a quote for 1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide?
Yes, CoreyChem provides custom synthesis services for 1-(2-((3,4-Dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methylpiperidinium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.