Isoquinolinium, 2-(3-(triethylammonio)propyl)-, dibromide
TL;DR: Isoquinolinium, 2-(3-(triethylammonio)propyl)-, dibromide (CAS 64047-69-4) is a chemical compound with molecular formula C18H28Br2N2 and molecular weight 430.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl(3-isoquinolin-2-ium-2-ylpropyl)azanium dibromide
Also Known As: IN 171, 2-(3-(triethylammonio)propyl)isoquinolin-2-ium bromide, ISOQUINOLINIUM, 2-(3-(TRIETHYLAMMONIO)PROPYL)-, DIBROMIDE, Ammonium, (3-(isoquinolinio)propyl)triethyl-, dibromide, triethyl(3-isoquinolin-2-ium-2-ylpropyl)azanium dibromide
| Molecular Formula | C18H28Br2N2 |
|---|---|
| Molecular Weight | 430.06 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.05988 |
| Heavy Atoms | 22 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 64047-69-4 |
|---|---|
| SMILES | CC[N+](CC)(CC)CCC[N+]1=CC2=CC=CC=C2C=C1.[Br-].[Br-] |
| InChIKey | VVWYBGBTZWEMKT-UHFFFAOYSA-L |
Product Overview
Isoquinolinium, 2-(3-(triethylammonio)propyl)-, dibromide (CAS 64047-69-4), with molecular formula C18H28Br2N2 and molecular weight 430.06 g/mol. IUPAC: triethyl(3-isoquinolin-2-ium-2-ylpropyl)azanium dibromide.
Chemical Property Profile of Isoquinolinium, 2-(3-(triethylammonio)propyl)-, dibromide
Property Insights of Isoquinolinium, 2-(3-(triethylammonio)propyl)-, dibromide
The XLogP value of -2.6 indicates that Isoquinolinium, 2-(3-(triethylammonio)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, 2-(3-(triethylammonio)propyl)-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 2-(3-(triethylammonio)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, 2-(3-(triethylammonio)propyl)-, dibromide?
The CAS number of Isoquinolinium, 2-(3-(triethylammonio)propyl)-, dibromide is 64047-69-4.
What is the molecular formula of Isoquinolinium, 2-(3-(triethylammonio)propyl)-, dibromide?
The molecular formula of Isoquinolinium, 2-(3-(triethylammonio)propyl)-, dibromide is C18H28Br2N2.
What is the molecular weight of Isoquinolinium, 2-(3-(triethylammonio)propyl)-, dibromide?
The molecular weight of Isoquinolinium, 2-(3-(triethylammonio)propyl)-, dibromide is 430.06 g/mol.
Where can I buy Isoquinolinium, 2-(3-(triethylammonio)propyl)-, dibromide?
You can request a quote for Isoquinolinium, 2-(3-(triethylammonio)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, 2-(3-(triethylammonio)propyl)-, dibromide?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolinium, 2-(3-(triethylammonio)propyl)-, dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.