![3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide structure](/static/products/1046/104664-34-8.webp)
3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide
TL;DR: 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide (CAS 104664-34-8) is a chemical compound with molecular formula C16H21IN2OS and molecular weight 416.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide
Also Known As: 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide, Methyl N-(3-hydroxypropyl)-2-(1-methylquinolin-2(1H)-ylidene)ethanimidothioate--hydrogen iodide (1/1), RefChem:1089603
| Molecular Formula | C16H21IN2OS |
|---|---|
| Molecular Weight | 416.04 g/mol |
| LogP | -0.6983 |
| Topological Polar Surface Area | 36.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.04193 |
| Heavy Atoms | 21 |
| Complexity | 616.24854 |
Chemical Identifiers
| CAS Number | 104664-34-8 |
|---|---|
| SMILES | C[N+]1=C(C=CC2=CC=CC=C21)/C=C(/NCCCO)\SC.[I-] |
Product Overview
3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide (CAS 104664-34-8), with molecular formula C16H21IN2OS and molecular weight 416.04 g/mol. IUPAC: 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide.
Chemical Property Profile of 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide
Property Insights of 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide
The XLogP value of -0.6983 indicates that 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.14 Ų, 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide?
The CAS number of 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide is 104664-34-8.
What is the molecular formula of 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide?
The molecular formula of 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide is C16H21IN2OS.
What is the molecular weight of 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide?
The molecular weight of 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide is 416.04 g/mol.
Where can I buy 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide?
You can request a quote for 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide?
Yes, KEHONG BIO provides custom synthesis services for 3-[[(Z)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.