![Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]- structure](/static/products/1713/171367-97-8.webp)
Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]-
TL;DR: Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]- (CAS 171367-97-8) is a chemical compound with molecular formula C21H21N2S+ and molecular weight 333.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole
Also Known As: Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]-, 1-ethyl-4-[(3-ethylbenzothiazol-2-ylidene)methyl]quinoline, 1-Ethyl-4-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium, 1-ethyl-4-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium, 3-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole
| Molecular Formula | C21H21N2S+ |
|---|---|
| Molecular Weight | 333.14 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 32.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.14255 |
| Heavy Atoms | 24 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 171367-97-8 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=CC3=CC=[N+](C4=CC=CC=C34)CC |
| InChIKey | SFTZBFQWPQDHFP-UHFFFAOYSA-N |
Product Overview
Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]- (CAS 171367-97-8), with molecular formula C21H21N2S+ and molecular weight 333.14 g/mol. IUPAC: 3-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole.
Chemical Property Profile of Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]-
Property Insights of Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]-
The XLogP value of 5.5 indicates that Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.4 Ų, Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]-?
The CAS number of Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]- is 171367-97-8.
What is the molecular formula of Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]-?
The molecular formula of Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]- is C21H21N2S+.
What is the molecular weight of Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]-?
The molecular weight of Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]- is 333.14 g/mol.
Where can I buy Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]-?
You can request a quote for Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 3-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.