Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, dibromide
TL;DR: Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, dibromide (CAS 64059-46-7) is a chemical compound with molecular formula C15H21Br3N2 and molecular weight 465.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromoisoquinolin-2-ium-2-yl)propyl-trimethylazanium dibromide
Also Known As: IN 270, Ammonium, (3-(4-bromoisoquinolinio)propyl)trimethyl-, dibromide, ISOQUINOLINIUM, 4-BROMO-2-(3-(TRIMETHYLAMMONIO)PROPYL)-, DIBROMIDE, 3-(4-bromoisoquinolin-2-ium-2-yl)propyl-trimethylazanium dibromide, 4-Bromo-2-[3-(trimethylazaniumyl)propyl]isoquinolin-2-ium dibromide
| Molecular Formula | C15H21Br3N2 |
|---|---|
| Molecular Weight | 465.93 g/mol |
| LogP | -3.01 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.92343 |
| Heavy Atoms | 20 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 64059-46-7 |
|---|---|
| SMILES | C[N+](C)(C)CCC[N+]1=CC2=CC=CC=C2C(=C1)Br.[Br-].[Br-] |
| InChIKey | IBABVQIIFVJKAG-UHFFFAOYSA-L |
Product Overview
Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, dibromide (CAS 64059-46-7), with molecular formula C15H21Br3N2 and molecular weight 465.93 g/mol. IUPAC: 3-(4-bromoisoquinolin-2-ium-2-yl)propyl-trimethylazanium dibromide.
Chemical Property Profile of Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, dibromide
Property Insights of Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, dibromide
The XLogP value of -3.01 indicates that Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, 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, 4-bromo-2-(3-(trimethylammonio)propyl)-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, 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
Frequently Asked Questions
What is the CAS number of Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, dibromide?
The CAS number of Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, dibromide is 64059-46-7.
What is the molecular formula of Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, dibromide?
The molecular formula of Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, dibromide is C15H21Br3N2.
What is the molecular weight of Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, dibromide?
The molecular weight of Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, dibromide is 465.93 g/mol.
Where can I buy Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, dibromide?
You can request a quote for Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, dibromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, dibromide?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.