Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1)
TL;DR: Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1) (CAS 53054-77-6) is a chemical compound with molecular formula C12H12BrN and molecular weight 249.0153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-prop-2-enylisoquinolin-2-ium bromide
Also Known As: 2-allylisoquinolinium bromide, Isoquinolinium, 2-(2-propenyl)-, bromide, N-allylisoquinolinium bromide, 2-prop-2-enylisoquinolin-2-ium;bromide, 2-prop-2-enylisoquinoline, bromide
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12BrN |
| Molecular Weight | 249.0153 g/mol |
| XLogP | -0.68 |
| Topological Polar Surface Area (TPSA) | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.0153 Da |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
| SMILES | C=CC[N+]1=CC2=CC=CC=C2C=C1.[Br-] |
| InChIKey | RWONKETZKJXMKA-UHFFFAOYSA-M |
Chemical Property Profile of Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1)
Property Insights of Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1)
The XLogP value of -0.68 indicates that Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 3.9 Ų, Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1) has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1)?
The CAS number of Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1) is 53054-77-6.
What is the molecular formula of Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1)?
The molecular formula of Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1) is C12H12BrN.
What is the molecular weight of Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1)?
The molecular weight of Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1) is 249.0153 g/mol.
Where can I buy Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1)?
You can request a quote for Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1)?
Yes, CoreyChem provides custom synthesis services for Isoquinolinium, 2-(2-propen-1-yl)-, bromide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.