![(2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole structure](/static/products/125/125017-83-6.png)
(2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole
TL;DR: (2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole (CAS 125017-83-6) is a chemical compound with molecular formula C20H19N2S+ and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole
Also Known As: 1-Ethyl-2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]quinolinium, 1-Ethyl-2-[(3-methylbenzothiazol-2(3H)-ylidene)methyl]quinolinium, 1-Ethyl-2-[(2,3-dihydro-3-methylbenzothiazole-2-ylidene)methyl]quinolinium, 2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole, 1-ethyl-2-[(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium
| Molecular Formula | C20H19N2S+ |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | 4.6877 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.1269 |
| Heavy Atoms | 23 |
| Complexity | 914.4137 |
Chemical Identifiers
| CAS Number | 125017-83-6 |
|---|---|
| SMILES | CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/3\N(C4=CC=CC=C4S3)C |
Product Overview
(2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole (CAS 125017-83-6), with molecular formula C20H19N2S+ and molecular weight 319.13 g/mol. IUPAC: (2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole.
Chemical Property Profile of (2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole
Property Insights of (2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole
The XLogP value of 4.6877 indicates that (2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.12 Ų, (2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole 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 (2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole?
The CAS number of (2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole is 125017-83-6.
What is the molecular formula of (2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole?
The molecular formula of (2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole is C20H19N2S+.
What is the molecular weight of (2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole?
The molecular weight of (2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole is 319.13 g/mol.
Where can I buy (2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole?
You can request a quote for (2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.