![2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate structure](/static/products/162/1622455-89-3.webp)
2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate
TL;DR: 2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate (CAS 1622455-89-3) is a chemical compound with molecular formula C20H16N2O2S and molecular weight 348.09326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]acetate
Also Known As: 2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate, 2-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]acetate, 3-(carboxylatomethyl)-2-[(1-methyl-1,4-dihydroquinolin-4-ylidene)methyl]-1,3-benzothiazol-3-ium
Technical Specifications
| Molecular Formula | C20H16N2O2S |
| Molecular Weight | 348.09326 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.09326 Da |
| Heavy Atoms | 25 |
| Complexity | 532.0 |
| SMILES | C[N+]1=CC=C(C2=CC=CC=C21)/C=C\3/N(C4=CC=CC=C4S3)CC(=O)[O-] |
| InChIKey | IAQWRYLXCXUYTF-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate
Property Insights of 2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate
The XLogP value of 5.0 indicates that 2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate. Following Lipinski's Rule of Five, 2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate?
The CAS number of 2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate is 1622455-89-3.
What is the molecular formula of 2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate?
The molecular formula of 2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate is C20H16N2O2S.
What is the molecular weight of 2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate?
The molecular weight of 2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate is 348.09326 g/mol.
Where can I buy 2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate?
You can request a quote for 2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate?
Yes, CoreyChem provides custom synthesis services for 2-[(2Z)-2-[(1-methylquinolin-4-yl)methylidene]benzothiazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.