1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide
TL;DR: 1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide (CAS 60435-31-6) is a chemical compound with molecular formula C21H19IN2S and molecular weight 458.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-3-methyl-2-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide
Also Known As: EINECS 262-232-0, 1-methyl-2-[3- prop-1-enyl]quinoliniumiodide, 1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide, 1-METHYL-2-[3-(3-METHYL-3H-BENZOTHIAZOL-2-YLIDENE)PROP-1-ENYL]QUINOLINIUM IODIDE, 3-methyl-2-[3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole,iodide
| Molecular Formula | C21H19IN2S |
|---|---|
| Molecular Weight | 458.03 g/mol |
| LogP | 1.765 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 458.03137 |
| Heavy Atoms | 25 |
| Complexity | 978.54694 |
Chemical Identifiers
| CAS Number | 60435-31-6 |
|---|---|
| SMILES | CN\1C2=CC=CC=C2S/C1=C/C=C/C3=[N+](C4=CC=CC=C4C=C3)C.[I-] |
Product Overview
1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide (CAS 60435-31-6), with molecular formula C21H19IN2S and molecular weight 458.03 g/mol. IUPAC: (2E)-3-methyl-2-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide.
Chemical Property Profile of 1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide
Property Insights of 1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide
The XLogP value of 1.765 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide. With a topological polar surface area (TPSA) of 7.12 Ų, 1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium 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 1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide?
The CAS number of 1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide is 60435-31-6.
What is the molecular formula of 1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide?
The molecular formula of 1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide is C21H19IN2S.
What is the molecular weight of 1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide?
The molecular weight of 1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide is 458.03 g/mol.
Where can I buy 1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide?
You can request a quote for 1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-(3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)quinolinium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.