Isoquinolinium, 4-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide
TL;DR: Isoquinolinium, 4-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide (CAS 64047-54-7) is a chemical compound with molecular formula C17H25Br2N3O and molecular weight 445.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-acetamidoisoquinolin-2-ium-2-yl)propyl-trimethylazanium dibromide
Also Known As: IN 266, ISOQUINOLINIUM, 4-ACETAMIDO-2-(3-(TRIMETHYLAMMONIO)PROPYL)-, DIBROMIDE, Ammonium, (3-(4-acetamidoisoquinolinio)propyl)trimethyl-, dibromide, 3-(4-acetamidoisoquinolin-2-ium-2-yl)propyl-trimethylazanium dibromide, Isoquinolinium, 4-(acetylamino)-2-[3-(trimethylammonio)propyl]-, dibromide
| Molecular Formula | C17H25Br2N3O |
|---|---|
| Molecular Weight | 445.04 g/mol |
| LogP | -3.81 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.0344 |
| Heavy Atoms | 23 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 64047-54-7 |
|---|---|
| SMILES | CC(=O)NC1=C[N+](=CC2=CC=CC=C21)CCC[N+](C)(C)C.[Br-].[Br-] |
| InChIKey | UWVYIEXDBDLRBV-UHFFFAOYSA-M |
Product Overview
Isoquinolinium, 4-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide (CAS 64047-54-7), with molecular formula C17H25Br2N3O and molecular weight 445.04 g/mol. IUPAC: 3-(4-acetamidoisoquinolin-2-ium-2-yl)propyl-trimethylazanium dibromide.
Chemical Property Profile of Isoquinolinium, 4-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide
Property Insights of Isoquinolinium, 4-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide
The XLogP value of -3.81 indicates that Isoquinolinium, 4-acetamido-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 33.0 Ų, Isoquinolinium, 4-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 4-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide has 1 hydrogen bond donor(s) and 3 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-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide?
The CAS number of Isoquinolinium, 4-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide is 64047-54-7.
What is the molecular formula of Isoquinolinium, 4-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide?
The molecular formula of Isoquinolinium, 4-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide is C17H25Br2N3O.
What is the molecular weight of Isoquinolinium, 4-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide?
The molecular weight of Isoquinolinium, 4-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide is 445.04 g/mol.
Where can I buy Isoquinolinium, 4-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide?
You can request a quote for Isoquinolinium, 4-acetamido-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-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolinium, 4-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.