2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide
TL;DR: 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide (CAS 4609-41-0) is a chemical compound with molecular formula C20H19IN2S and molecular weight 446.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-3-ethyl-2-[(1-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide
Also Known As: EINECS 225-016-7, 2-Quinothiacyanine iodide,1-methyl-3'-ethyl, 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide, 2-[(3-ETHYL-3H-BENZOTHIAZOL-2-YLIDENE)METHYL]-1-METHYLQUINOLINIUM IODIDE, (2Z)-3-ethyl-2-[(1-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide
| Molecular Formula | C20H19IN2S |
|---|---|
| Molecular Weight | 446.03 g/mol |
| LogP | 1.5989 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 446.03137 |
| Heavy Atoms | 24 |
| Complexity | 920.4108 |
Chemical Identifiers
| CAS Number | 4609-41-0 |
|---|---|
| SMILES | CCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=CC=CC=C4C=C3)C.[I-] |
Product Overview
2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide (CAS 4609-41-0), with molecular formula C20H19IN2S and molecular weight 446.03 g/mol. IUPAC: (2Z)-3-ethyl-2-[(1-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide.
Chemical Property Profile of 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide
Property Insights of 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide
The XLogP value of 1.5989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide. With a topological polar surface area (TPSA) of 7.12 Ų, 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide has 0 hydrogen bond donor(s) and 2 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 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide?
The CAS number of 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide is 4609-41-0.
What is the molecular formula of 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide?
The molecular formula of 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide is C20H19IN2S.
What is the molecular weight of 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide?
The molecular weight of 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide is 446.03 g/mol.
Where can I buy 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide?
You can request a quote for 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.