Isoquinolinium, 2-(2-phenylethyl)-, bromide (1:1)
TL;DR: Isoquinolinium, 2-(2-phenylethyl)-, bromide (1:1) (CAS 10249-13-5) is a chemical compound with molecular formula C17H16BrN and molecular weight 313.0466 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-phenylethyl)isoquinolin-2-ium bromide
Also Known As: 2-Phenethylisoquinolinium bromide, Isoquinolinium, bromide, 2-(2-phenylethyl)isoquinolinium bromide, Diphenyl phosphate dihydrate, 2-phenethylisoquinolin-2-ium bromide
Technical Specifications
| Molecular Formula | C17H16BrN |
| Molecular Weight | 313.0466 g/mol |
| XLogP | 0.37 |
| Topological Polar Surface Area (TPSA) | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0466 Da |
| Heavy Atoms | 19 |
| Complexity | 244.0 |
| SMILES | C1=CC=C(C=C1)CC[N+]2=CC3=CC=CC=C3C=C2.[Br-] |
| InChIKey | RGEPGGFMNXPUEU-UHFFFAOYSA-M |
Chemical Property Profile of Isoquinolinium, 2-(2-phenylethyl)-, bromide (1:1)
Property Insights of Isoquinolinium, 2-(2-phenylethyl)-, bromide (1:1)
The XLogP value of 0.37 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinolinium, 2-(2-phenylethyl)-, bromide (1:1). With a topological polar surface area (TPSA) of 3.9 Ų, Isoquinolinium, 2-(2-phenylethyl)-, bromide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 2-(2-phenylethyl)-, 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-phenylethyl)-, bromide (1:1)?
The CAS number of Isoquinolinium, 2-(2-phenylethyl)-, bromide (1:1) is 10249-13-5.
What is the molecular formula of Isoquinolinium, 2-(2-phenylethyl)-, bromide (1:1)?
The molecular formula of Isoquinolinium, 2-(2-phenylethyl)-, bromide (1:1) is C17H16BrN.
What is the molecular weight of Isoquinolinium, 2-(2-phenylethyl)-, bromide (1:1)?
The molecular weight of Isoquinolinium, 2-(2-phenylethyl)-, bromide (1:1) is 313.0466 g/mol.
Where can I buy Isoquinolinium, 2-(2-phenylethyl)-, bromide (1:1)?
You can request a quote for Isoquinolinium, 2-(2-phenylethyl)-, 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-phenylethyl)-, bromide (1:1)?
Yes, CoreyChem provides custom synthesis services for Isoquinolinium, 2-(2-phenylethyl)-, bromide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.