Isoquinolinium, 2-(5-(trimethylammonio)pentyl)-, dibromide
TL;DR: Isoquinolinium, 2-(5-(trimethylammonio)pentyl)-, dibromide (CAS 64047-70-7) is a chemical compound with molecular formula C17H26Br2N2 and molecular weight 416.04626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-isoquinolin-2-ium-2-ylpentyl(trimethyl)azanium dibromide
Also Known As: IN 251, Ammonium, (5-(isoquinolinio)pentyl)trimethyl-, dibromide, ISOQUINOLINIUM, 2-(5-(TRIMETHYLAMMONIO)PENTYL)-, DIBROMIDE, 5-isoquinolin-2-ium-2-ylpentyl(trimethyl)azanium dibromide, 2-[5-(Trimethylazaniumyl)pentyl]isoquinolin-2-ium dibromide
Technical Specifications
| Molecular Formula | C17H26Br2N2 |
| Molecular Weight | 416.04626 g/mol |
| XLogP | -2.99 |
| Topological Polar Surface Area (TPSA) | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.04422 Da |
| Heavy Atoms | 21 |
| Complexity | 256.0 |
| SMILES | C[N+](C)(C)CCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-].[Br-] |
| InChIKey | UPQHUJSVEOJFCA-UHFFFAOYSA-L |
Chemical Property Profile of Isoquinolinium, 2-(5-(trimethylammonio)pentyl)-, dibromide
Property Insights of Isoquinolinium, 2-(5-(trimethylammonio)pentyl)-, dibromide
The XLogP value of -2.99 indicates that Isoquinolinium, 2-(5-(trimethylammonio)pentyl)-, dibromide 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-(5-(trimethylammonio)pentyl)-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 2-(5-(trimethylammonio)pentyl)-, dibromide has 0 hydrogen bond donor(s) and 2 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-(5-(trimethylammonio)pentyl)-, dibromide?
The CAS number of Isoquinolinium, 2-(5-(trimethylammonio)pentyl)-, dibromide is 64047-70-7.
What is the molecular formula of Isoquinolinium, 2-(5-(trimethylammonio)pentyl)-, dibromide?
The molecular formula of Isoquinolinium, 2-(5-(trimethylammonio)pentyl)-, dibromide is C17H26Br2N2.
What is the molecular weight of Isoquinolinium, 2-(5-(trimethylammonio)pentyl)-, dibromide?
The molecular weight of Isoquinolinium, 2-(5-(trimethylammonio)pentyl)-, dibromide is 416.04626 g/mol.
Where can I buy Isoquinolinium, 2-(5-(trimethylammonio)pentyl)-, dibromide?
You can request a quote for Isoquinolinium, 2-(5-(trimethylammonio)pentyl)-, dibromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoquinolinium, 2-(5-(trimethylammonio)pentyl)-, dibromide?
Yes, CoreyChem provides custom synthesis services for Isoquinolinium, 2-(5-(trimethylammonio)pentyl)-, dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.