![3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol structure](/static/products/4512/4512-79-2.webp)
3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol
TL;DR: 3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol (CAS 4512-79-2) is a chemical compound with molecular formula C21H21N2OS+ and molecular weight 349.14 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-2-yl)methylidene]-1,3-benzothiazol-5-ol
Also Known As: BAS 00669789, 3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol, 1-Ethyl-2-[(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium, 3-ethyl-2-{[(2E)-1-ethylquinolin-2-ylidene]methyl}-5-hydroxy-1,3-benzothiazol-3-ium, GNF-Pf-18
| Molecular Formula | C21H21N2OS+ |
|---|---|
| Molecular Weight | 349.14 g/mol |
| LogP | 4.7834 |
| Topological Polar Surface Area | 27.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.13745 |
| Heavy Atoms | 25 |
| Complexity | 980.79205 |
Chemical Identifiers
| CAS Number | 4512-79-2 |
|---|---|
| SMILES | CCN1C2=C(C=CC(=C2)O)SC1=CC3=[N+](C4=CC=CC=C4C=C3)CC |
Product Overview
3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol (CAS 4512-79-2), with molecular formula C21H21N2OS+ and molecular weight 349.14 g/mol. IUPAC: 3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol.
Chemical Property Profile of 3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol
Property Insights of 3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol
The XLogP value of 4.7834 indicates that 3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.35 Ų, 3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol has 1 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-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol?
The CAS number of 3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol is 4512-79-2.
What is the molecular formula of 3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol?
The molecular formula of 3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol is C21H21N2OS+.
What is the molecular weight of 3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol?
The molecular weight of 3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol is 349.14 g/mol.
Where can I buy 3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol?
You can request a quote for 3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.