![(1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride structure](/static/products/525/5257-78-3.webp)
(1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
TL;DR: (1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride (CAS 5257-78-3) is a chemical compound with molecular formula C21H24ClN3O and molecular weight 369.1608 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3,3-dimethyl-2,4-dihydroisoquinolin-2-ium-1-imine chloride
Also Known As: (1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, N-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3,3-dimethyl-4H-isoquinolin-1-imine Chloride
Technical Specifications
| Molecular Formula | C21H24ClN3O |
| Molecular Weight | 369.1608 g/mol |
| XLogP | 0.0431 |
| Topological Polar Surface Area (TPSA) | 46.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.1608 Da |
| Heavy Atoms | 26 |
| Complexity | 515.0 |
| SMILES | CC1(CC2=CC=CC=C2/C(=N\N=C\C=C\C3=CC=C(C=C3)OC)/[NH2+]1)C.[Cl-] |
| InChIKey | DVGKPHCTSOWKPD-ARZWOWPCSA-N |
Chemical Property Profile of (1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Property Insights of (1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
The XLogP value of 0.0431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride. With a topological polar surface area (TPSA) of 46.0 Ų, (1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride?
The CAS number of (1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride is 5257-78-3.
What is the molecular formula of (1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride?
The molecular formula of (1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride is C21H24ClN3O.
What is the molecular weight of (1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride?
The molecular weight of (1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride is 369.1608 g/mol.
Where can I buy (1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride?
You can request a quote for (1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride?
Yes, CoreyChem provides custom synthesis services for (1E)-1-{(2E)-[(2E)-3-(4-Methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.