![3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole structure](/static/products/6826/6826-37-5.webp)
3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole
TL;DR: 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole (CAS 6826-37-5) is a chemical compound with molecular formula C31H35N2S+ and molecular weight 467.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole
Also Known As: 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole, 2-Ethyl-1-({3-[(3-ethyl-6-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}methyl)isoquinolin-2-ium
| Molecular Formula | C31H35N2S+ |
|---|---|
| Molecular Weight | 467.25 g/mol |
| LogP | 8.05902 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.2521 |
| Heavy Atoms | 34 |
| Complexity | 1342.7942 |
Chemical Identifiers
| CAS Number | 6826-37-5 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)C)SC1=CC3=CC(=CC4=[N+](C=CC5=CC=CC=C54)CC)CC(C3)(C)C |
Product Overview
3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole (CAS 6826-37-5), with molecular formula C31H35N2S+ and molecular weight 467.25 g/mol. IUPAC: 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole.
Chemical Property Profile of 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole
Property Insights of 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole
The XLogP value of 8.05902 indicates that 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-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, 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole 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 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole?
The CAS number of 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole is 6826-37-5.
What is the molecular formula of 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole?
The molecular formula of 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole is C31H35N2S+.
What is the molecular weight of 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole?
The molecular weight of 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole is 467.25 g/mol.
Where can I buy 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole?
You can request a quote for 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-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 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.